SCHEMBL7835677

SCHEMBL7835677

CCOC(=O)C(Cc1cccnc1)NC(=O)CNC(=O)c1cccc(NC=NN)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 12/20 0.42
CMKLR2 P46091 1/20 0.42
CMKLR1 Q99788 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL7825812 0.91 TP53 (0.39) GPR132CMKLR2CMKLR1ALDH1A1TP53
SCHEMBL7825718 0.90 TP53 (0.47) ALDH1A1TP53
SCHEMBL7832625 0.89 TP53 (0.41) GPR132CMKLR2CMKLR1ALDH1A1TP53
SCHEMBL6776672 0.89 GPR132 (0.52) GPR132CMKLR2CMKLR1
SCHEMBL6776531 0.88 GPR132 (0.47) GPR132CMKLR2CMKLR1
SCHEMBL7341105 0.87 CTSL (0.46) ALDH1A1TP53
SCHEMBL7340855 0.87 TSHR (0.45) GPR132CMKLR2CMKLR1ALDH1A1TP53
SCHEMBL7341748 0.87 TACR1 (0.41) ALDH1A1TP53
SCHEMBL7344058 0.86 GLA (0.41) TP53MAPT
SCHEMBL6773680 0.86 ALDH1A1 (0.44) GPR132CMKLR2CMKLR1ALDH1A1MAPT

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 2 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-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed