SCHEMBL8058429

SCHEMBL8058429

COc1ccc(NC(=O)NC(c2ccccc2)C(NC(=O)NC2CCCCC2)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.70
RAB9A P51151 6/20 0.70
NPC1 O15118 6/20 0.70
EPHX2 P34913 4/20 0.70
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 1/20 0.55
TP53 P04637 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
HTT P42858 1/20 0.53
CASR P41180 1/20 0.52
CCR3 P51677 1/20 0.51

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
SCHEMBL8058426 1.00 EPHX1 (0.70) EPHX1RAB9ANPC1EPHX2ALDH1A1
SCHEMBL8058342 0.88 RAB9A (0.73) EPHX1RAB9ANPC1EPHX2ALDH1A1
SCHEMBL8058343 0.88 RAB9A (0.73) EPHX1RAB9ANPC1EPHX2ALDH1A1
SCHEMBL8058760 0.85 EPHX1 (0.67) EPHX1RAB9ANPC1EPHX2ALDH1A1
SCHEMBL8058763 0.85 EPHX1 (0.67) EPHX1RAB9ANPC1EPHX2ALDH1A1
SCHEMBL12196154 0.83 NPC1 (1.00) EPHX1RAB9ANPC1EPHX2ALDH1A1
SCHEMBL8067568 0.83 EPHX1 (0.73) EPHX1RAB9ANPC1EPHX2MEN1
SCHEMBL8067570 0.82 LMNA (0.57) EPHX1ALDH1A1MEN1KMT2ALMNA
SCHEMBL8067567 0.82 LMNA (0.57) EPHX1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2751488 0.82 NPC1 (0.97) EPHX1RAB9ANPC1EPHX2ALDH1A1

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