SCHEMBL8314768

SCHEMBL8314768

ClCCCN1CCC(=C(c2ccccc2)c2cccc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
SETD7 Q8WTS6 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RX7 Q99572 1/20 0.46
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.41
KCNH2 Q12809 1/20 0.41
THRB P10828 1/20 0.41
BCHE P06276 1/20 0.41
HRH3 Q9Y5N1 3/20 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
SCHEMBL8315369 0.96 MEN1 (0.44) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL9253379 0.89 SETD7 (0.57) OPRM1OPRD1OPRK1SETD7P2RX7
SCHEMBL8316876 0.88 OPRD1 (0.53) OPRM1OPRD1OPRK1SETD7MEN1
SCHEMBL8317082 0.86 OPRD1 (0.49) OPRM1OPRD1OPRK1SETD7P2RX7
SCHEMBL8317597 0.84 OPRM1 (0.49) OPRM1OPRD1OPRK1SETD7P2RX7
SCHEMBL8312626 0.83 DRD4 (0.47) OPRM1OPRD1OPRK1SETD7KMT2A
SCHEMBL8316991 0.82 OPRM1 (0.52) OPRM1OPRD1OPRK1SETD7P2RX7
SCHEMBL8314872 0.82 OPRD1 (0.55) OPRM1OPRD1OPRK1SETD7P2RX7
SCHEMBL9238863 0.80 SETD7 (0.61) OPRM1OPRD1OPRK1SETD7MEN1
SCHEMBL8315432 0.80 OPRM1 (0.48) OPRM1OPRD1OPRK1SETD7MEN1

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