SCHEMBL7681815

SCHEMBL7681815

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.55
CACNA1B Q00975 1/20 0.48
NR1I2 O75469 2/20 0.42
PLA2G4A P47712 1/20 0.41
ABCB11 O95342 1/20 0.40
CNR1 P21554 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
CCR9 P51686 6/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
NTRK1 P04629 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
SCHEMBL7682472 0.84 GPR35 (0.48) CCR2CACNA1BPLA2G4ALTB4RLTB4R2
SCHEMBL7684876 0.83 CCR2 (0.51) CCR2CACNA1BPLA2G4AABCB11LTB4R
SCHEMBL7677750 0.82 PLA2G4A (0.49) CCR2CACNA1BPLA2G4AABCB11LTB4R
SCHEMBL3958982 0.81 CCR2 (0.56) CCR2PLA2G4ALTB4RLTB4R2
SCHEMBL6002236 0.79 SERPINE1 (0.43) CCR2CACNA1BPLA2G4AABCB11LTB4R
SCHEMBL7679772 0.79 ACSS2 (0.45) CCR2CACNA1BPLA2G4ALTB4RLTB4R2
SCHEMBL7677561 0.79 GPR35 (0.44) CCR2CACNA1BPLA2G4ALTB4RLTB4R2
SCHEMBL7684946 0.77 NTRK1 (0.52) CCR2CACNA1BPLA2G4ALTB4RLTB4R2
SCHEMBL7679776 0.77 CACNA1B (0.40) CCR2CACNA1BNR1I2PLA2G4AABCB11
SCHEMBL7683902 0.75 CCR2 (0.55) CCR2PTGDR2NTRK1

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