SCHEMBL8315432

SCHEMBL8315432

COc1ccc(C(=C2CCN(CCCCl)CC2)c2ccccc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SETD7 Q8WTS6 1/20 0.45
EBP Q15125 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
TMEM97 Q5BJF2 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
ACHE P22303 1/20 0.43
ABCB1 P08183 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL8317854 0.94 CYP2D6 (0.46) MEN1KMT2AEBPSIGMAR1TMEM97
SCHEMBL8316856 0.86 OPRM1 (0.52) OPRM1OPRD1OPRK1SETD7SIGMAR1
SCHEMBL8312626 0.85 DRD4 (0.47) OPRM1OPRD1OPRK1KMT2ASETD7
SCHEMBL9253379 0.84 SETD7 (0.57) OPRM1OPRD1OPRK1SETD7DRD2
SCHEMBL27508978 0.84 OPRM1 (0.45) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL10559361 0.83 KMT2A (0.57) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL7441629 0.82 KDM4E (0.49) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL8314872 0.82 OPRD1 (0.55) OPRM1OPRD1OPRK1SETD7P2RX7
SCHEMBL8317597 0.81 OPRM1 (0.49) OPRM1OPRD1OPRK1SETD7DRD4
SCHEMBL8317082 0.81 OPRD1 (0.49) OPRM1OPRD1OPRK1SETD7P2RX7

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 1 patent. 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