SCHEMBL7682297

SCHEMBL7682297

COc1cc(-c2nc(NC(=O)c3cc4ccccc4n3CCCC(=O)O)sc2C(C)C2CCCCC2)c(OC)cc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
TRPV4 Q9HBA0 3/20 0.35
F10 P00742 4/20 0.34
MEN1 O00255 1/20 0.34
CCKAR P32238 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
GPX4 P36969 1/20 0.33
IMPDH2 P12268 1/20 0.33
ECE1 P42892 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
SCHEMBL7685928 0.91 CNR2 (0.42) CNR2ALDH1A1TSHRHTTTRPV4
SCHEMBL7688738 0.86 MEN1 (0.46) CNR2F10MEN1CCKARKMT2A
SCHEMBL7682301 0.85 TRPV4 (0.40) CNR2ALDH1A1TSHRHTTTRPV4
SCHEMBL7686588 0.85 F10 (0.36) ALDH1A1F10MEN1CCKARKMT2A
SCHEMBL6702793 0.84 MAPT (0.37) ALDH1A1MEN1KMT2A
SCHEMBL7679774 0.84 SAE1 (0.35) TRPV4F10MEN1CCKARKMT2A
SCHEMBL7679713 0.83 MEN1 (0.40) CNR2F10MEN1CCKARKMT2A
SCHEMBL7688495 0.82 MEN1 (0.39) CNR2F10MEN1CCKARKMT2A
SCHEMBL6702438 0.82 MAPT (0.38) ALDH1A1TSHRHTTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7682402 0.82 ATM (0.36) ALDH1A1F10MEN1CCKARKMT2A

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