SCHEMBL7834945

SCHEMBL7834945

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 16/20 0.52
CMKLR2 P46091 1/20 0.52
CMKLR1 Q99788 1/20 0.52
FOLH1 Q04609 1/20 0.47
TSHR P16473 1/20 0.46
AGTR2 P50052 1/20 0.44

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
SCHEMBL7337289 0.93 GPR132 (0.50) GPR132CMKLR2CMKLR1FOLH1TSHR
SCHEMBL7337671 0.90 GPR132 (0.54) GPR132CMKLR2CMKLR1FOLH1TSHR
SCHEMBL7340855 0.88 TSHR (0.45) GPR132CMKLR2CMKLR1TSHR
SCHEMBL6778227 0.88 TSHR (0.58) GPR132CMKLR2CMKLR1FOLH1TSHR
SCHEMBL7349960 0.87 GPR132 (0.53) GPR132CMKLR2CMKLR1FOLH1TSHR
SCHEMBL7349051 0.87 GPR132 (0.55) GPR132CMKLR2CMKLR1TSHR
SCHEMBL7341632 0.86 TSHR (0.49) GPR132CMKLR2CMKLR1FOLH1TSHR
SCHEMBL7836171 0.86 TSHR (0.56) GPR132CMKLR2CMKLR1TSHR
SCHEMBL6776672 0.86 GPR132 (0.52) GPR132CMKLR2CMKLR1FOLH1
SCHEMBL7823711 0.85 GPR139 (0.51) GPR132CMKLR2CMKLR1TSHR

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 1 patent. 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