SCHEMBL3984341

SCHEMBL3984341

CCN(CC)C(=O)Oc1ccc2c(c1)Oc1ccccc1N2C1CC2CCC(C1)N2CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.43
OPRD1 P41143 6/20 0.43
CHRNA7 P36544 1/20 0.41
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMPD1 P17405 1/20 0.39

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
SCHEMBL3987042 0.91 USP2 (0.46) OPRM1OPRD1OPRK1KCNH2
SCHEMBL3987395 0.90 OPRM1 (0.42) OPRM1OPRD1CHRNA7OPRK1KCNH2
SCHEMBL3991588 0.89 OPRM1 (0.44) OPRM1OPRD1CHRNA7OPRK1KCNH2
SCHEMBL3991990 0.89 ACHE (0.41) OPRM1OPRD1
SCHEMBL13395003 0.85 OPRM1 (0.55) OPRM1OPRD1
SCHEMBL3173338 0.85 OPRM1 (0.55) OPRM1OPRD1
SCHEMBL13394993 0.85 OPRM1 (0.55) OPRM1OPRD1
SCHEMBL3987571 0.85 P2RX4 (0.37) OPRM1OPRD1
SCHEMBL3987430 0.85 OPRK1 (0.42) OPRM1OPRK1KCNH2
SCHEMBL3994605 0.84 USP2 (0.37)

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-1833826-B1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP claimed