SCHEMBL8069362

SCHEMBL8069362

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.55
KMT2A Q03164 12/20 0.55
MAPK1 P28482 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
AVPR1A P37288 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MYOC Q99972 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 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
SCHEMBL8069365 1.00 MEN1 (0.55) MEN1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL8070027 0.81 ABCG2 (0.60) MEN1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL8070029 0.81 ABCG2 (0.60) MEN1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL8058439 0.81 CNR1 (0.58) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL8067595 0.81 CNR1 (0.58) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL8058435 0.81 CNR1 (0.58) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL3461321 0.80 HSD17B10 (0.70) MEN1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL10577831 0.80 HSD17B10 (0.70) MEN1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL8058297 0.78 FPR2 (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8067558 0.78 FPR2 (0.55) MEN1KMT2ANPC1RAB9AMAPT

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