SCHEMBL9325621

SCHEMBL9325621

CC1(C)S[C@@H]2C(NC(=O)Cc3ccccc3N)C(=O)N2[C@H]1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.75
▸ HRH1 P35367 1/20 0.75
▸ SLC22A8 Q8TCC7 1/20 0.75
▸ POLB P06746 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ FPR1 P21462 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ KDM4E B2RXH2 6/20 0.60
▸ RECQL P46063 3/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ SLC15A2 Q16348 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ TEK Q02763 1/20 0.60
▸ LMNA P02545 5/20 0.59
▸ TSHR P16473 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9528755 1.00 CYP2C19 (0.75) CYP2C19HRH1SLC22A8POLBCYP3A4
SCHEMBL9580302 1.00 CYP2C19 (0.75) CYP2C19HRH1SLC22A8POLBCYP3A4
SCHEMBL4934732 1.00 CYP2C19 (0.75) CYP2C19HRH1SLC22A8POLBCYP3A4
Hydrochloric Acid SCHEMBL11802688 0.99 CYP2C19 (0.74) CYP2C19HRH1SLC22A8POLBCYP3A4
Water SCHEMBL10924164 0.99 CYP2C19 (0.74) CYP2C19HRH1SLC22A8POLBCYP3A4
SCHEMBL11546552 0.90 CYP3A4 (0.71) CYP2C19HRH1SLC22A8POLBCYP3A4
SCHEMBL11590266 0.90 CYP2C19 (0.75) CYP2C19HRH1SLC22A8POLBCYP3A4
SCHEMBL11590270 0.90 CYP2C19 (0.75) CYP2C19HRH1SLC22A8POLBCYP3A4
Hydrochloric Acid SCHEMBL11708138 0.89 CYP2C19 (0.74) CYP2C19HRH1SLC22A8POLBCYP3A4
SCHEMBL11707564 0.89 CYP2C19 (0.74) CYP2C19HRH1SLC22A8POLBCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294789-B1 Process for preparing 6-/D(-)-Alpha-(4-ethyl-2,3-dioxo-1-piperazine-carboxamido)-phenylacetamido/pennicillanic acid KRKA TOVARNA ZDRAVIL (YU) 1994-10-12 — — EP claimed
EP-0317484-B1 N,N'-carboxyl-bis-(4-ethyl-2,3-dioxo)-piperazine, process for the preparation thereof and use thereof GEMA SA (ES) 1994-03-16 — — EP claimed
US-5015736-A Piperazine intermediates GEMA, S.A. (ES) 1991-05-14 — — US claimed
EP-0317484-A2 N,N'-carboxyl-bis-(4-ethyl-2,3-dioxo)-piperazine, process for the preparation thereof and use thereof GEMA S.A. (ES) 1989-05-24 — — EP claimed
EP-0076066-B1 PENICILLIN DERIVATIVES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-11-26 — — EP claimed
EP-0014651-B1 TALAMPICILLIN 2-METHOXYPHENOXY ACETATE, PROCESS FOR ITS PREPARATION AND MEDICAMENTS CONTAINING IT SANOFI S.A. (FR) 1982-08-04 — — EP claimed
EP-0294789-B1 Process for preparing 6-/D(-)-Alpha-(4-ethyl-2,3-dioxo-1-piperazine-carboxamido)-phenylacetamido/pennicillanic acid KRKA TOVARNA ZDRAVIL (YU) 1994-10-12 — — EP disclosed
EP-0317484-B1 N,N'-carboxyl-bis-(4-ethyl-2,3-dioxo)-piperazine, process for the preparation thereof and use thereof GEMA SA (ES) 1994-03-16 — — EP disclosed
US-5229509-A Process for the preparation of 3-chloro-cefem compounds ANTIBIOTICOS, S.A. (ES) 1993-07-20 — — US disclosed
US-5175348-A Reacting acylal with hydrogen halide SAUREFABRIK SCHWEIZERHALL (CH) 1992-12-29 — — US disclosed
US-5171879-A Reacting methylene dipivalate or derivatives with thionyl chloride; high purity SAUREFABRIK SCHWEIZERHALL (CH) 1992-12-15 — — US disclosed
EP-0473008-A2 Improved process for preparing penicillins and cephalosporins RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1992-03-04 — — EP disclosed
US-5015736-A Piperazine intermediates GEMA, S.A. (ES) 1991-05-14 — — US disclosed
US-3954733-A ANTIBIOTIC SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-05-04 — — US disclosed
US-3951955-A ANTIMICROBIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-20 — — US disclosed
US-3951954-A Novel oxofuryl ester derivatives of penicillin and cephalosporin YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-04-20 — — US disclosed
US-3951954-A Novel oxofuryl ester derivatives of penicillin and cephalosporin YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-04-20 — — US disclosed
US-3941773-A CRYSTALLINE BRISTOL-MYERS COMPANY (US) 1976-03-02 — — US disclosed
US-3939270-A INFECTIOUS DISEASES ASTRA LAKEMEDEL AKTIEBOLAG (SW) 1976-02-17 — — US disclosed
US-3931153-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 — — US disclosed
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