SCHEMBL9253379

SCHEMBL9253379

ClCCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.57
OPRD1 P41143 6/20 0.55
OPRK1 P41145 5/20 0.55
OPRM1 P35372 4/20 0.55
P2RX7 Q99572 1/20 0.54
HTR7 P34969 2/20 0.46
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PSMB1 P20618 2/20 0.41
PSMB5 P28074 2/20 0.41
PSMB2 P49721 2/20 0.41
HTR2A P28223 2/20 0.41
HRH1 P35367 2/20 0.41
HTR2B P41595 2/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CHRNA4 P43681 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
SCHEMBL8316876 0.93 OPRD1 (0.53) SETD7OPRD1OPRK1OPRM1P2RX7
SCHEMBL8316991 0.92 OPRM1 (0.52) SETD7OPRD1OPRK1OPRM1P2RX7
SCHEMBL8314872 0.92 OPRD1 (0.55) SETD7OPRD1OPRK1OPRM1P2RX7
SCHEMBL9238863 0.90 SETD7 (0.61) SETD7OPRD1OPRK1OPRM1P2RX7
SCHEMBL8314768 0.89 OPRM1 (0.47) SETD7OPRD1OPRK1OPRM1P2RX7
SCHEMBL8316856 0.88 OPRM1 (0.52) SETD7OPRD1OPRK1OPRM1P2RX7
SCHEMBL8316492 0.88 OPRD1 (0.49) SETD7OPRD1OPRK1OPRM1P2RX7
SCHEMBL8312303 0.88 OPRD1 (0.55) SETD7OPRD1OPRK1OPRM1P2RX7
SCHEMBL8317597 0.88 OPRM1 (0.49) SETD7OPRD1OPRK1OPRM1P2RX7
SCHEMBL8317082 0.88 OPRD1 (0.49) SETD7OPRD1OPRK1OPRM1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1068201-C Inhibitor of intiltration of acidophilic leukocyte TORAY INDUSTRIES (JP) 2001-07-11 CN disclosed
US-5478823-A Antiinflammatory agents, antiallergens; tricyclic triazolo derivative TORAY INDUSTRIES, INC. (JP) 1995-12-26 US disclosed
CN-1095594-A Inhibitor of intiltration of acidophilic leukocyte TORAY INDUSTRIES (JP) 1994-11-30 CN disclosed
EP-0617961-A1 EOSINOPHIL INFILTRATION INHIBITOR TORAY INDUSTRIES, INC. (JP) 1994-10-05 EP disclosed