SCHEMBL7679728

SCHEMBL7679728

COc1cc(-c2nc(NC(=O)c3c(C)c4ccccc4n3CC(=O)O)sc2C(C)C2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
F10 P00742 1/20 0.36
S1PR2 O95136 7/20 0.35
PPARG P37231 1/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34
TRPV4 Q9HBA0 2/20 0.33
RXFP1 Q9HBX9 1/20 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
SCHEMBL6702244 0.93 RXFP1 (0.37) TP53MAPTPPARGKMT2ASMN1; SMN2
SCHEMBL6704678 0.88 MAPT (0.39) TP53MAPTPPARGKMT2ASMN1; SMN2
SCHEMBL7688738 0.87 MEN1 (0.46) F10KMT2A
SCHEMBL6699872 0.86 PTGDR2 (0.36) TP53MAPTPPARGKMT2ASMN1; SMN2
SCHEMBL6703652 0.84 MEN1 (0.38) TP53MAPTF10KMT2ASMN1; SMN2
SCHEMBL7679713 0.82 MEN1 (0.40) F10KMT2A
SCHEMBL6705251 0.81 SAE1 (0.34) TP53MAPTPPARG
SCHEMBL7679774 0.81 SAE1 (0.35) TP53F10KMT2ATRPV4
SCHEMBL6704409 0.81 MAPT (0.32) TP53MAPTF10KMT2AHTT
SCHEMBL6703993 0.81 MAPT (0.42) TP53MAPTKMT2ASMN1; SMN2CYP2C9

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 1 patent. 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 disclosed