SCHEMBL1388296

SCHEMBL1388296

N=C(N)NCCC[C@H](C(N)=O)N(Cc1cc(Cl)c(N)c(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 5/20 0.39
▸ C3AR1 Q16581 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CASR P41180 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
Hydrochloric Acid SCHEMBL8121150 0.90 TACR1 (0.36) TACR1C3AR1CASRF10PRSS1
SCHEMBL4650701 0.89 CNR1 (0.35) TACR1C3AR1CNR1CNR2F10
SCHEMBL8126579 0.85 TACR1 (0.37) TACR1C3AR1
Hydrochloric Acid SCHEMBL8111831 0.85 TRPM8 (0.36) F10PRSS1
Hydrochloric Acid SCHEMBL8123651 0.81 CNR1 (0.33) CNR1CNR2
SCHEMBL7751927 0.80 F7 (0.39) HTTF10MAPT
SCHEMBL1388418 0.79 TMEM97 (0.36) LMNAHTTF10MAPT
Hydrochloric Acid SCHEMBL8126105 0.78 TMEM97 (0.35) LMNAHTTF10MAPT
SCHEMBL1388307 0.77 CNR1 (0.35) TACR1C3AR1TPSAB1CNR1CNR2
SCHEMBL1389118 0.77 CNR1 (0.41) TPSAB1CNR1CNR2F10PRSS1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP claimed
JP-H08505862-A — — 1996-06-25 — — JP claimed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP claimed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO claimed
US-6313128-B1 CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE SANOFI-SYNTHELABO (FR) 2001-11-06 — — US disclosed
EP-1093803-A2 Cosmetic composition comprising antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-04-25 — — EP disclosed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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