SCHEMBL7684876

SCHEMBL7684876

CC(C)(C)OC(=O)Cn1c(C(=O)O)cc2cc(N)ccc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.51
CACNA1B Q00975 1/20 0.44
PLA2G4A P47712 2/20 0.43
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
GPR35 Q9HC97 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ABCB11 O95342 1/20 0.37

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
SCHEMBL7682472 0.86 GPR35 (0.48) CCR2CACNA1BPLA2G4ALTB4RLTB4R2
SCHEMBL6002257 0.85 CACNA1B (0.48) CCR2CACNA1BKDM4EALDH1A1
SCHEMBL7677750 0.84 PLA2G4A (0.49) CCR2CACNA1BPLA2G4ALTB4RLTB4R2
SCHEMBL3958982 0.83 CCR2 (0.56) CCR2PLA2G4ALTB4RLTB4R2GPR35
SCHEMBL7681815 0.83 CCR2 (0.55) CCR2CACNA1BPLA2G4ALTB4RLTB4R2
SCHEMBL7679772 0.81 ACSS2 (0.45) CCR2CACNA1BPLA2G4ALTB4RLTB4R2
SCHEMBL7677561 0.81 GPR35 (0.44) CCR2CACNA1BPLA2G4ALTB4RLTB4R2
SCHEMBL7684946 0.79 NTRK1 (0.52) CCR2CACNA1BPLA2G4ALTB4RLTB4R2
SCHEMBL7679776 0.78 CACNA1B (0.40) CCR2CACNA1BPLA2G4ALTB4RLTB4R2
SCHEMBL5677246 0.78 CCR2 (0.43) CCR2KDM4EALDH1A1

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
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed