SCHEMBL7686931

SCHEMBL7686931

COc1cc(-c2nc(NC(=O)c3cc4c(C)c(Cl)ccc4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.35
MEN1 O00255 1/20 0.34
CCKAR P32238 1/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 1/20 0.33
MAPT P10636 3/20 0.33
PLTP P55058 2/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.32
ROCK2 O75116 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PI4KB Q9UBF8 1/20 0.31
SAE1 Q9UBE0 1/20 0.31

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
SCHEMBL7683689 0.95 TRPV4 (0.35) TRPV4MEN1CCKARKMT2ARORC
SCHEMBL7688220 0.94 TRPV4 (0.35) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7681850 0.92 TRPV4 (0.35) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7688378 0.91 MEN1 (0.38) TRPV4MEN1CCKARKMT2ARORC
SCHEMBL7688634 0.91 MEN1 (0.37) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL6705254 0.90 TRPV4 (0.33) TRPV4RORCMAPTPLTPTP53
SCHEMBL6703653 0.90 MEN1 (0.37) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7688617 0.89 TRPV4 (0.36) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7679752 0.89 MEN1 (0.38) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL6702247 0.89 RXFP1 (0.37) TRPV4MEN1KMT2AMAPTPLTP

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