SCHEMBL8317597

SCHEMBL8317597

ClCCCN1CCC(=C(c2ccccc2)c2ccc3ccccc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
P2RX7 Q99572 1/20 0.46
SETD7 Q8WTS6 1/20 0.46
DRD3 P35462 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD4 P21917 2/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL9253379 0.88 SETD7 (0.57) OPRM1OPRD1OPRK1P2RX7SETD7
SCHEMBL8316876 0.84 OPRD1 (0.53) OPRM1OPRD1OPRK1P2RX7SETD7
SCHEMBL8314768 0.84 OPRM1 (0.47) OPRM1OPRD1OPRK1P2RX7SETD7
SCHEMBL8314872 0.83 OPRD1 (0.55) OPRM1OPRD1OPRK1P2RX7SETD7
SCHEMBL8316991 0.83 OPRM1 (0.52) OPRM1OPRD1OPRK1P2RX7SETD7
SCHEMBL8316856 0.82 OPRM1 (0.52) OPRM1OPRD1OPRK1P2RX7SETD7
SCHEMBL8317082 0.82 OPRD1 (0.49) OPRM1OPRD1OPRK1P2RX7SETD7
SCHEMBL8312626 0.82 DRD4 (0.47) OPRM1OPRD1OPRK1SETD7DRD4
Hydrochloric Acid SCHEMBL11833096 0.82 OPRM1 (0.52) OPRM1OPRD1OPRK1DRD3SLC6A4
SCHEMBL8315432 0.81 OPRM1 (0.48) OPRM1OPRD1OPRK1P2RX7SETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
CN-1033327-C Process for preparing tricyclotriazolo derivatives and their use TORAY INDUSTRIES (JP) 1996-11-20 CN disclosed
CN-1066849-A Three ring triazolo derivatives, its Manufacturing approach and use TORAY INDUSTRIES (JP) 1992-12-09 CN disclosed