SCHEMBL6989235

SCHEMBL6989235

C=C(CN1CCNCC1)CN(CCCOc1ccccc1C#N)C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.45
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
EPHX2 P34913 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL4394742 0.93 CASR (0.53) CASRNPC1RAB9AMEN1KMT2A
SCHEMBL4401811 0.90 CASR (0.42) CASREPHX2HTTSMN1; SMN2
SCHEMBL4394368 0.89 CASR (0.50) CASRNPC1RAB9AMEN1KMT2A
SCHEMBL4399190 0.86 CASR (0.41) CASREPHX2SMN1; SMN2
SCHEMBL4394783 0.86 CASR (0.42) CASREPHX2MEN1KMT2AHTR2C
SCHEMBL4392185 0.85 KCNA5 (0.42) CASRNPC1RAB9AKMT2AHTR2C
SCHEMBL14472757 0.84 CASR (0.35) CASRNPC1RAB9AEPHX2MEN1
SCHEMBL4394724 0.84 HTR2C (0.38) CASRNPC1RAB9AEPHX2MEN1
SCHEMBL4398149 0.83 EPHX2 (0.38) CASREPHX2MEN1KMT2AHTR2C
SCHEMBL4399460 0.81 KCNA5 (0.43) NPC1RAB9AKMT2AHTR2CHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358171-A2 NOVEL UREA DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2003-11-05 EP disclosed
WO-2002059102-A2 UREA DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE AVENTIS PHARMA S.A. (FR) 2002-08-01 WO disclosed