SCHEMBL8070029

SCHEMBL8070029

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.60
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
FPR2 P25090 1/20 0.51
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
AVPR1A P37288 1/20 0.49
IGF1R P08069 1/20 0.49
EPHX2 P34913 1/20 0.49
PIN1 Q13526 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
GRIK1 P39086 1/20 0.45
MAPT P10636 1/20 0.45
MYOC Q99972 1/20 0.45

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
SCHEMBL8070027 1.00 ABCG2 (0.60) ABCG2MEN1KMT2ANPC1RAB9A
SCHEMBL8074018 0.85 FPR2 (0.57) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL8072202 0.85 FPR2 (0.57) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL8074023 0.85 FPR2 (0.57) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL8067629 0.84 FPR2 (0.56) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL8067627 0.84 FPR2 (0.56) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL6301913 0.83 MEN1 (0.74) ABCG2MEN1KMT2ANPC1RAB9A
SCHEMBL8073834 0.83 RAB9A (0.62) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL8067530 0.83 UTS2R (0.57) MEN1KMT2ANPC1RAB9AFPR2
SCHEMBL8073835 0.83 RAB9A (0.62) MEN1KMT2ANPC1RAB9AFPR2

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