SCHEMBL7686443

SCHEMBL7686443

COc1cc(-c2nc(NC(=O)c3cc4cccc(C)c4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.36
MEN1 O00255 1/20 0.35
CCKAR P32238 1/20 0.35
KMT2A Q03164 1/20 0.35
F10 P00742 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.34
RORC P51449 1/20 0.33
PLTP P55058 2/20 0.33
ROCK2 O75116 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PI4KB Q9UBF8 1/20 0.32
SAE1 Q9UBE0 1/20 0.32

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
SCHEMBL7683987 0.95 CCR2 (0.38) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7685722 0.93 TRPV4 (0.37) TRPV4MEN1CCKARKMT2AGAA
SCHEMBL1008694 0.92 TRPV4 (0.36) TRPV4MEN1CCKARKMT2AGAA
SCHEMBL29403637 0.92 TRPV4 (0.36) TRPV4MEN1CCKARKMT2AGAA
SCHEMBL7688378 0.91 MEN1 (0.38) TRPV4MEN1CCKARKMT2AF10
SCHEMBL7682713 0.91 TRPV4 (0.35) TRPV4MEN1CCKARKMT2AGAA
SCHEMBL7681859 0.91 TRPV4 (0.35) TRPV4GAAMAPTPLTPROCK2
SCHEMBL7688617 0.91 TRPV4 (0.36) TRPV4MEN1CCKARKMT2AGAA
SCHEMBL7686063 0.91 TRPV4 (0.39) TRPV4MEN1CCKARKMT2AGAA
SCHEMBL7688727 0.90 TRPV4 (0.36) 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