SCHEMBL5194432

SCHEMBL5194432

COc1ccccc1C1CCCCN1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
PPIB P23284 2/20 0.53
PPID Q08752 1/20 0.53
PPIG Q13427 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ROCK2 O75116 2/20 0.50
SCD5 Q86SK9 1/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TERT O14746 1/20 0.44
CHRNA7 P36544 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5758265 0.88 HSP90AA1 (0.59) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL28511386 0.86 MEN1 (0.55) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL31648898 0.84 HSP90AA1 (0.50) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL20236634 0.80 HTR1A (0.47) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL30593287 0.79 HTR2C (0.54) HSP90AA1HSP90AB1MEN1KMT2AALDH1A1
SCHEMBL14698726 0.79 HTR2C (0.54) HSP90AA1HSP90AB1MEN1KMT2AALDH1A1
SCHEMBL29643357 0.79 HSP90AA1 (0.42) HSP90AA1HSP90AB1PPIBPPIDPPIG
SCHEMBL5822054 0.76 GAA (0.49) MEN1KMT2AGAAHSD11B1
SCHEMBL938757 0.75 RIPK1 (0.59) HSP90AA1HSP90AB1SCD5HSD11B1
SCHEMBL5195419 0.75 HSD17B10 (0.58) ROCK2SCD5KDM4EHSD17B10MAOA

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-1773796-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP disclosed
WO-2006021655-A2 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO disclosed