SCHEMBL8562690

SCHEMBL8562690

O=C1CCC(C(=O)Cl)c2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.41
ELOC Q15369 1/20 0.41
ELOB Q15370 1/20 0.41
SIRT1 Q96EB6 1/20 0.35
S100A4 P26447 1/20 0.35
SRD5A1 P18405 3/20 0.35
AR P10275 1/20 0.35
MAP4K4 O95819 2/20 0.34
PDE5A O76074 1/20 0.34
F7 P08709 1/20 0.34
PARP1 P09874 1/20 0.34
F3 P13726 1/20 0.34
PARP10 Q53GL7 1/20 0.34
TP53 P04637 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SRD5A2 P31213 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL8562108 0.84 AR (0.42) VHLELOCELOBS100A4AR
SCHEMBL8564785 0.81 CHRNB2 (0.31)
SCHEMBL8566794 0.79 GLS (0.39) S100A4MEN1KMT2A
SCHEMBL27560253 0.76 VHL (0.44) VHLELOCELOBS100A4SRD5A1
SCHEMBL8563388 0.74 AR (0.42) VHLELOCELOBS100A4AR
SCHEMBL7324722 0.73 VHL (0.41) VHLELOCELOBS100A4SRD5A1
SCHEMBL8561344 0.67 ACHE (0.39) ALDH1A1KMT2A
SCHEMBL11852519 0.66 KMO (0.47) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL2792252 0.66 MAP4K4 (0.56) SRD5A1MAP4K4PDE5ASRD5A2
SCHEMBL31384990 0.66 AR (0.40) VHLELOCELOBS100A4SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756730-A Process for preparing analgesic compounds SANKYO COMPANY, LIMITED (JP) 1998-05-26 US disclosed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 US disclosed
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 US disclosed
US-5270327-A Piperidine derivatives SANKYO COMPANY, LIMITED (JP) 1993-12-14 US disclosed
EP-0356247-B1 ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES Sankyo Company Limited (JP) 1993-03-17 EP disclosed
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed