SCHEMBL7679774

SCHEMBL7679774

COc1cc(-c2nc(NC(=O)c3cc4c(OC)cccc4n3CC(=O)O)sc2C(C)C2CCCCC2)c(OC)cc1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
ROCK2 O75116 2/20 0.33
MEN1 O00255 1/20 0.33
CCKAR P32238 1/20 0.33
CHRM4 P08173 1/20 0.33
PDE4B Q07343 1/20 0.33
TP53 P04637 1/20 0.33
CCR2 P41597 1/20 0.33
TRPV4 Q9HBA0 2/20 0.33
F10 P00742 3/20 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
SCHEMBL7686588 0.89 F10 (0.36) PTGDR2KMT2AMEN1CCKARCHRM4
SCHEMBL6702793 0.88 MAPT (0.37) KMT2AMEN1TP53
SCHEMBL6702895 0.87 CHRM4 (0.35) SAE1UBA2ROCK2CHRM4TP53
Trifluoroacetic Acid SCHEMBL7682402 0.85 ATM (0.36) KMT2AMEN1CCKARCHRM4TP53
SCHEMBL7679779 0.85 TRPV4 (0.37) SAE1UBA2PTGDR2KMT2APOLB
SCHEMBL6699872 0.85 PTGDR2 (0.36) PTGDR2KMT2APOLBMEN1CHRM4
SCHEMBL7688738 0.84 MEN1 (0.46) KMT2AMEN1CCKARF10
SCHEMBL7682297 0.84 CNR2 (0.40) SAE1UBA2PTGDR2KMT2AMEN1
SCHEMBL6704665 0.83 CHRM4 (0.33) SAE1UBA2KMT2AROCK2CHRM4
SCHEMBL6702438 0.83 MAPT (0.38) KMT2AMEN1CHRM4TP53

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