SCHEMBL183770

SCHEMBL183770

CC[C@H](C)[C@H](N)C(=O)OC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.55
▸ SLC7A5 Q01650 1/20 0.55
▸ HRH3 Q9Y5N1 5/20 0.49
▸ HRH4 Q9H3N8 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ BLM P54132 1/20 0.48

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
SCHEMBL6426905 0.88 CYP3A4 (0.58) CYP3A4SLC7A5HRH3HRH4ALDH1A1
SCHEMBL244229 0.88 CYP3A4 (0.58) CYP3A4SLC7A5HRH3HRH4ALDH1A1
SCHEMBL1537310 0.88 CYP3A4 (0.58) CYP3A4SLC7A5HRH3HRH4ALDH1A1
SCHEMBL163444 0.87 CYP3A4 (0.71) CYP3A4SLC7A5HRH3HRH4ALDH1A1
SCHEMBL1537285 0.87 CYP3A4 (0.71) CYP3A4SLC7A5HRH3HRH4ALDH1A1
SCHEMBL3457999 0.85 CYP3A4 (0.61) CYP3A4SLC7A5HRH3HRH4ALDH1A1
Hydrochloric Acid SCHEMBL28331180 0.85 CYP3A4 (0.69) CYP3A4SLC7A5HRH3HRH4ALDH1A1
SCHEMBL8373019 0.84 CYP3A4 (0.60) CYP3A4SLC7A5HRH3HRH4ALDH1A1
SCHEMBL716110 0.83 CYP3A4 (0.58) CYP3A4SLC7A5HRH3HRH4ALDH1A1
SCHEMBL5652907 0.83 CYP3A4 (0.58) CYP3A4SLC7A5HRH3HRH4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220133839-A1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP PHARMA GMBH (CH) 2022-05-05 — — US claimed
EP-3838285-A1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP Pharma GmbH (CH) 2021-06-23 — — EP claimed
EP-3134105-B1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP PHARMA GMBH (CH) 2020-11-18 — — EP claimed
WO-2020126948-A1 ADJUVANT COMPOSITION AND USES THEREOF SANDOZ GMBH (AT) 2020-06-25 — — WO claimed
US-20190030115-A1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP PHARMA GMBH (CH) 2019-01-31 — — US claimed
EP-3134105-A1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP Pharma GmbH (CH) 2017-03-01 — — EP claimed
CN-106232623-A Peptide analogs with branched-chain amino acid probes TXP制药股份有限公司 2016-12-14 — — CN claimed
US-9238053-B2 Methods for treatment of pain NOCICEPTA LLC (US) 2016-01-19 — — US claimed
WO-2015162485-A1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP PHARMA GMBH (CH) 2015-10-29 — — WO claimed
US-20150297671-A1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP PHARMA GMBH (CH) 2015-10-22 — — US claimed
EP-0822826-A4 — — 1998-02-25 — — EP claimed
EP-0822826-A1 NITROSYLATED NEUROPEPTIDES BRIGHAM AND WOMEN'S HOSPITAL (US) 1998-02-11 — — EP claimed
US-5612314-A Nitrosylated neuropeptides BRIGHAM & WOMEN'S HOSPITAL (US) 1997-03-18 — — US claimed
EP-0621788-A4 HEMOREGULATORY PEPTIDES. SMITHKLINE BEECHAM CORP (US) 1997-03-05 — — EP claimed
WO-1996032954-A1 NITROSYLATED NEUROPEPTIDES BRIGHAM AND WOMEN'S HOSPITAL (US) 1996-10-24 — — WO claimed
EP-0700995-A2 Process for production of protein SUNTORY LIMITED (JP) 1996-03-13 — — EP claimed
EP-0621788-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1994-11-02 — — EP claimed
WO-1993013789-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 — — WO claimed
EP-0506032-A1 Receptor purification method AMERICAN CYANAMID COMPANY (US) 1992-09-30 — — EP claimed
EP-0204447-A2 Pharmaceutical preparations which may be used for stimulating tear secretion EYE RESEARCH INSTITUTE OF RETINA FOUNDATION (US) 1986-12-10 — — EP claimed
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