SCHEMBL7337289

SCHEMBL7337289

NC(=S)Nc1cccc(C(=O)NCC(=O)NC(Cc2cccnc2)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 16/20 0.50
CMKLR2 P46091 1/20 0.50
CMKLR1 Q99788 1/20 0.50
FOLH1 Q04609 1/20 0.45
TSHR P16473 1/20 0.45
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL7834945 0.93 GPR132 (0.52) GPR132CMKLR2CMKLR1FOLH1TSHR
SCHEMBL7832738 0.89 GPR132 (0.47) GPR132
SCHEMBL7337671 0.89 GPR132 (0.54) GPR132CMKLR2CMKLR1FOLH1TSHR
SCHEMBL6773680 0.89 ALDH1A1 (0.44) GPR132CMKLR2CMKLR1TSHR
SCHEMBL6778227 0.86 TSHR (0.58) GPR132CMKLR2CMKLR1FOLH1TSHR
SCHEMBL7349960 0.85 GPR132 (0.53) GPR132CMKLR2CMKLR1FOLH1TSHR
SCHEMBL7349051 0.85 GPR132 (0.55) GPR132CMKLR2CMKLR1TSHR
SCHEMBL7341632 0.85 TSHR (0.49) GPR132CMKLR2CMKLR1FOLH1TSHR
SCHEMBL7836171 0.85 TSHR (0.56) GPR132CMKLR2CMKLR1TSHR
SCHEMBL6776672 0.84 GPR132 (0.52) GPR132CMKLR2CMKLR1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed