SCHEMBL7684176

SCHEMBL7684176

COc1ccc2c(c1)cc(C(=O)Nc1nc(-c3cc(OC)c(Cl)cc3OC)c(CCC3CCCCC3)s1)n2CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.38
MEN1 O00255 1/20 0.37
CCKAR P32238 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 6/20 0.37
TP53 P04637 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CCR2 P41597 1/20 0.36
DYRK1A Q13627 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ECE1 P42892 1/20 0.35

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
SCHEMBL7679752 0.94 MEN1 (0.38) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL6703653 0.93 MEN1 (0.37) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL6702797 0.93 GAA (0.39) TRPV4MEN1KMT2AMAPTTP53
SCHEMBL7688740 0.92 MEN1 (0.46) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7688220 0.89 TRPV4 (0.35) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7686063 0.89 TRPV4 (0.39) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL4279264 0.89 MEN1 (0.34) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7686931 0.89 TRPV4 (0.35) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7681850 0.89 TRPV4 (0.35) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7683689 0.88 TRPV4 (0.35) TRPV4MEN1CCKARKMT2AMAPT

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