SCHEMBL8989835

SCHEMBL8989835

O=C(O)Cc1csc2ccc(C3CCCCC3N3CCOCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
HTR7 P34969 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
Hydrochloric Acid SCHEMBL8989821 0.99 UTS2R (0.47) UTS2RKEAP1NFE2L2OPRM1OPRK1
SCHEMBL7799090 0.78 OPRM1 (0.40) UTS2ROPRM1OPRK1HTR7
Hydrochloric Acid SCHEMBL7798770 0.77 OPRM1 (0.41) UTS2ROPRM1OPRK1HTR7
SCHEMBL8989847 0.76 OPRM1 (0.43) UTS2ROPRM1OPRK1
SCHEMBL7799084 0.76 OPRM1 (0.40) OPRM1OPRK1HTR7
Hydrochloric Acid SCHEMBL7798767 0.75 OPRM1 (0.42) OPRM1OPRK1HTR7
SCHEMBL7799100 0.74 KCNA5 (0.41)
Hydrochloric Acid SCHEMBL7803104 0.74 KCNA5 (0.40)
SCHEMBL1762403 0.69 HTR7 (0.44) OPRM1OPRK1HTR7
SCHEMBL1762302 0.69 HTR7 (0.44) OPRM1OPRK1HTR7

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-0720605-A1 AMINOCYCLOHEXYLESTERS AND USES THEREOF UNIVERSITY OF BRITISH COLUMBIA (CA) 1996-07-10 EP claimed
WO-1995008544-A1 AMINOCYCLOHEXYLESTERS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 1995-03-30 WO claimed