SCHEMBL5695823

SCHEMBL5695823

O=C(O)N(CCNc1ccccc1[N+](=O)[O-])Cc1cccc(C(=O)N2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.44
AR P10275 2/20 0.44
ALDH1A1 P00352 6/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
BLM P54132 1/20 0.41
PKM P14618 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
NPBWR1 P48145 1/20 0.40

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
SCHEMBL1470751 0.88 SMN1; SMN2 (0.42) GPR174ARALDH1A1GAAMAPT
SCHEMBL5695821 0.85 RAB9A (0.43) ALDH1A1MAPTHTTLMNAL3MBTL1
SCHEMBL1471423 0.82 ALDH1A1 (0.47) GPR174ALDH1A1GAAMAPTHTT
SCHEMBL1470893 0.73 SMN1; SMN2 (0.40) GPR174ARALDH1A1GAAMAPT
SCHEMBL1470736 0.73 NPC1 (0.41) ALDH1A1MAPTHTTLMNARECQL
SCHEMBL12684711 0.73 APP (0.57) ALDH1A1MAPTHTTLMNANPSR1
SCHEMBL1470908 0.72 HTR1A (0.42) ALDH1A1GAAHTTLMNARECQL
SCHEMBL1471446 0.72 HDAC1 (0.41) ALDH1A1HTTLMNARECQLTDP1
SCHEMBL12497081 0.72 APP (0.58) ALDH1A1MAPTHTTLMNANPSR1
SCHEMBL1471442 0.71 HTR1A (0.52) GAAHTTMEN1KMT2A

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-1660472-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed