SCHEMBL8316876

SCHEMBL8316876

ClCCCN1CCC(=C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.53
OPRM1 P35372 1/20 0.53
OPRK1 P41145 1/20 0.53
SETD7 Q8WTS6 1/20 0.50
P2RX7 Q99572 1/20 0.49
DRD2 P14416 5/20 0.49
HTR7 P34969 3/20 0.49
HTR1A P08908 3/20 0.49
DRD3 P35462 3/20 0.49
HRH1 P35367 2/20 0.49
HTR2B P41595 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTAFR P25105 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
DRD4 P21917 1/20 0.42
KCNA5 P22460 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 0.93 SETD7 (0.57) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8314768 0.88 OPRM1 (0.47) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8314872 0.88 OPRD1 (0.55) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8316991 0.88 OPRM1 (0.52) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8316492 0.84 OPRD1 (0.49) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8317597 0.84 OPRM1 (0.49) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8312303 0.84 OPRD1 (0.55) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8316856 0.84 OPRM1 (0.52) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL9238863 0.84 SETD7 (0.61) OPRD1OPRM1OPRK1SETD7P2RX7
SCHEMBL8315369 0.83 MEN1 (0.44) OPRD1OPRM1OPRK1P2RX7DRD2

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