SCHEMBL8069612

SCHEMBL8069612

O=C(Nc1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)C(NC(=O)NC1CCCCC1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.70
RAB9A P51151 3/20 0.56
NPC1 O15118 1/20 0.56
EPHX2 P34913 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
AVPR1A P37288 1/20 0.48

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
SCHEMBL8069610 1.00 EPHX1 (0.70) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL8058763 0.84 EPHX1 (0.67) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL8058760 0.84 EPHX1 (0.67) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL12196180 0.83 EPHX1 (1.00) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL8067568 0.82 EPHX1 (0.73) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL8058426 0.81 EPHX1 (0.70) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL8058429 0.81 EPHX1 (0.70) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL8067544 0.78 EPHX1 (0.68) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL8067548 0.78 EPHX1 (0.68) EPHX1RAB9ANPC1EPHX2SMN1; SMN2
SCHEMBL8069362 0.78 MEN1 (0.55) RAB9ANPC1SMN1; SMN2LMNAMEN1

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