SCHEMBL7683689

SCHEMBL7683689

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.35
MEN1 O00255 1/20 0.34
CCKAR P32238 1/20 0.34
KMT2A Q03164 1/20 0.34
SAE1 Q9UBE0 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 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
GAA P10253 1/20 0.32
PPARG P37231 1/20 0.32
RORC P51449 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
POLB P06746 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
SCHEMBL7686931 0.95 TRPV4 (0.35) TRPV4MEN1CCKARKMT2ASAE1
SCHEMBL6705254 0.95 TRPV4 (0.33) TRPV4SAE1PDE4APDE4BPDE4C
SCHEMBL7688378 0.92 MEN1 (0.38) TRPV4MEN1CCKARKMT2APDE4A
SCHEMBL7688220 0.92 TRPV4 (0.35) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7681850 0.91 TRPV4 (0.35) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7685722 0.91 TRPV4 (0.37) TRPV4MEN1CCKARKMT2ASAE1
SCHEMBL7688634 0.91 MEN1 (0.37) TRPV4MEN1CCKARKMT2AMAPT
SCHEMBL7688617 0.90 TRPV4 (0.36) TRPV4MEN1CCKARKMT2ASAE1
SCHEMBL7681859 0.90 TRPV4 (0.35) TRPV4SAE1MAPTPLTPTP53
SCHEMBL6703653 0.89 MEN1 (0.37) 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