SCHEMBL8058435

SCHEMBL8058435

N[C@@H](c1ccccc1)[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.58
CASR P41180 1/20 0.53
MAPT P10636 2/20 0.52
HSD17B10 Q99714 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
UTS2R Q9UKP6 1/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FPR2 P25090 1/20 0.46

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
SCHEMBL8058439 1.00 CNR1 (0.58) CNR1CASRMAPTHSD17B10CA12
SCHEMBL8067595 1.00 CNR1 (0.58) CNR1CASRMAPTHSD17B10CA12
SCHEMBL8067593 0.88 CNR1 (0.69) CNR1CASRMAPTHSD17B10UTS2R
SCHEMBL8067598 0.88 CNR1 (0.69) CNR1CASRMAPTHSD17B10UTS2R
SCHEMBL9125476 0.85 CNR1 (0.61) CNR1CASRMAPTHSD17B10UTS2R
SCHEMBL9125482 0.85 CNR1 (0.61) CNR1CASRMAPTHSD17B10UTS2R
SCHEMBL29386806 0.85 KMT2A (0.52) CNR1CASRMAPTHSD17B10NPC1
SCHEMBL8072276 0.84 CNR1 (0.60) CNR1CASRMAPTHSD17B10UTS2R
SCHEMBL8072273 0.84 CNR1 (0.60) CNR1CASRMAPTHSD17B10UTS2R
SCHEMBL8067558 0.82 FPR2 (0.55) MAPTHSD17B10CA12CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103761-A Agents acting at cholecystokinin receptors WARNER-LAMBERT COMPANY (US) 2000-08-15 US disclosed
US-5389682-A Appetite suppressants, anxiolytic agents, gastric acid inhibition WARNER-LAMBERT COMPANY (US) 1995-02-14 US disclosed
WO-1994006757-A1 AGENTS ACTING AT CHOLECYSTOKININ RECEPTORS WARNER-LAMBERT COMPANY (US) 1994-03-31 WO disclosed