SCHEMBL7688634

SCHEMBL7688634

COc1cc(-c2nc(NC(=O)c3cc4c(OC)cccc4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CCKAR P32238 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR2 P41597 1/20 0.37
TRPV4 Q9HBA0 5/20 0.37
TP53 P04637 3/20 0.34
MAPT P10636 3/20 0.34
APLNR P35414 1/20 0.33
PLTP P55058 1/20 0.33
ROCK2 O75116 1/20 0.33
LMNA P02545 1/20 0.33
S1PR2 O95136 2/20 0.33

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
SCHEMBL7688378 0.95 MEN1 (0.38) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7679779 0.93 TRPV4 (0.37) MEN1CCKARKMT2ACCR2TRPV4
SCHEMBL7688220 0.92 TRPV4 (0.35) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7688740 0.92 MEN1 (0.46) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7681850 0.91 TRPV4 (0.35) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7686931 0.91 TRPV4 (0.35) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7683689 0.91 TRPV4 (0.35) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7679733 0.90 TRPV4 (0.36) MEN1CCKARKMT2ATRPV4TP53
SCHEMBL7683987 0.90 CCR2 (0.38) MEN1CCKARKMT2ACCR2TRPV4
SCHEMBL7681859 0.89 TRPV4 (0.35) TRPV4TP53MAPTPLTPROCK2

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
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 claimed
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