SCHEMBL9515474

SCHEMBL9515474

CC1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1CN1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 0.80
UTS2R Q9UKP6 1/20 0.71
OPRD1 P41143 2/20 0.69
NPC1 O15118 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
NFKB1 P19838 1/20 0.69
CYP2C19 P33261 1/20 0.69
HIF1A Q16665 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
DRD4 P21917 1/20 0.67
SLC6A3 Q01959 1/20 0.67
TMEM97 Q5BJF2 1/20 0.67
SIGMAR1 Q99720 1/20 0.67

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
Maleic Acid SCHEMBL9734427 0.94 OPRK1 (0.71) OPRK1UTS2ROPRD1NPC1CYP1A2
Fumaric Acid SCHEMBL9734432 0.94 OPRK1 (0.71) OPRK1UTS2ROPRD1NPC1CYP1A2
SCHEMBL9514408 0.89 OPRK1 (1.00) OPRK1UTS2ROPRD1NPC1CYP1A2
Hydrochloric Acid SCHEMBL9733557 0.88 OPRK1 (0.98) OPRK1UTS2ROPRD1NPC1CYP1A2
Hydrochloric Acid SCHEMBL9734739 0.88 OPRK1 (0.98) OPRK1UTS2ROPRD1NPC1CYP1A2
Hydrochloric Acid SCHEMBL9734734 0.88 OPRK1 (0.98) OPRK1UTS2ROPRD1NPC1CYP1A2
Hydrochloric Acid SCHEMBL9733562 0.88 OPRK1 (0.98) OPRK1UTS2ROPRD1NPC1CYP1A2
Hydrochloric Acid SCHEMBL9733568 0.88 OPRK1 (0.98) OPRK1UTS2ROPRD1NPC1CYP1A2
SCHEMBL9734208 0.87 OPRK1 (0.64) OPRK1UTS2ROPRD1NPC1CYP1A2
SCHEMBL9734204 0.87 OPRK1 (0.64) OPRK1UTS2ROPRD1NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574477-A1 PHARMACEUTICALS Smithkline Beecham Farmaceutici S.p.A. (IT) 1993-12-22 EP claimed
EP-0330461-A2 Piperidine derivatives GLAXO GROUP LIMITED (GB) 1989-08-30 EP claimed
EP-0574477-A1 PHARMACEUTICALS Smithkline Beecham Farmaceutici S.p.A. (IT) 1993-12-22 EP disclosed
US-5114945-A Spiropiperidine derivatives GLAXO GROUP LIMITED (GB) 1992-05-19 US disclosed
EP-0330461-A2 Piperidine derivatives GLAXO GROUP LIMITED (GB) 1989-08-30 EP disclosed