SCHEMBL8315369

SCHEMBL8315369

ClCCCN1CCC(=C(c2cccc(Cl)c2)c2cccc(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 5/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 1/20 0.41
THRB P10828 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL8314768 0.96 OPRM1 (0.47) MEN1KMT2AKCNH2HRH3OPRM1
SCHEMBL9253379 0.84 SETD7 (0.57) KCNH2OPRM1OPRD1OPRK1LMNA
SCHEMBL8316876 0.83 OPRD1 (0.53) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL8317082 0.82 OPRD1 (0.49) KCNH2OPRM1OPRD1OPRK1P2RX7
SCHEMBL8317597 0.79 OPRM1 (0.49) HRH3OPRM1OPRD1OPRK1P2RX7
SCHEMBL8312626 0.79 DRD4 (0.47) KMT2AOPRM1OPRD1OPRK1DRD2
SCHEMBL8314872 0.77 OPRD1 (0.55) KCNH2OPRM1OPRD1OPRK1P2RX7
SCHEMBL8316991 0.77 OPRM1 (0.52) OPRM1OPRD1OPRK1LMNAP2RX7
SCHEMBL8315004 0.75 OPRD1 (0.47) KCNH2OPRM1OPRD1OPRK1P2RX7
SCHEMBL8315432 0.75 OPRM1 (0.48) MEN1KMT2AOPRM1OPRD1OPRK1

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-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed