SCHEMBL8120858

SCHEMBL8120858

NCCCC(C(N)=O)N(C(=O)Cc1ccccc1)C(=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.44
▸ REN P00797 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ EPOR P19235 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ CES2 O00748 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ MC4R P32245 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ HIF1A Q16665 1/20 0.36

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
SCHEMBL5317759 0.96 F2 (0.48) F2RENEPORMMP2
SCHEMBL7597308 0.90 F2 (0.44) F2RENHTR2AHRH1EPOR
SCHEMBL28238104 0.82 F2 (0.46) F2RENEPORMMP2
SCHEMBL5320903 0.81 REN (0.40) F2RENEPHX1
SCHEMBL10608191 0.76 EPOR (0.51) EPORMMP2
SCHEMBL5313785 0.76 REN (0.42) RENCES1CES2AKR1B1
SCHEMBL6787363 0.75 CNR2 (0.52) RENMMP2
SCHEMBL8113828 0.74 REN (0.37) REN
SCHEMBL8584344 0.73 TSHR (0.46) RENCES1CES2AKR1B1EPHX1
SCHEMBL10477497 0.71 EPOR (0.46) EPOR

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 5 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 disclosed
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 — — EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 — — WO 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
Send feedback