SCHEMBL4437201

SCHEMBL4437201

NC1CCN(C(=O)CI)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
CACNA1B Q00975 2/20 0.43
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
KDM1A O60341 4/20 0.35
DPP4 P27487 1/20 0.35
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MAOA P21397 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL16215819 0.84 ALDH1A1 (0.41) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL21159869 0.80 ALDH1A1 (0.41) GNAI3GNAO1GNAI1ALDH1A1NPC1
SCHEMBL3968814 0.80 GNAI3 (0.53) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL2439450 0.80 GNAI3 (0.53) GNAI3GNAO1GNAI1CACNA1BALDH1A1
Hydrochloric Acid SCHEMBL1062724 0.78 GNAI3 (0.56) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL11717 0.78 GNAI3 (0.61) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL13673699 0.78 ALDH1A1 (0.64) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL3427864 0.78 GNAI3 (0.51) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL25024038 0.78 ALDH1A1 (0.39) GNAI3GNAO1GNAI1ALDH1A1NPC1
SCHEMBL15337702 0.78 ALDH1A1 (0.64) ALDH1A1NPC1

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-2132176-A1 4-PIPERIDINYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, Inc. (US) 2009-12-16 EP disclosed
WO-2008112022-A1 4 -PI PERIDINYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-09-18 WO disclosed