SCHEMBL3987430

SCHEMBL3987430

CCN(CC)C(=O)Oc1ccc2c(c1)Oc1ccccc1N2C1CC2CCC(C1)N2Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.42
KCNH2 Q12809 3/20 0.42
OPRM1 P35372 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
USP2 O75604 1/20 0.38
CHRM1 P11229 1/20 0.37
P2RX4 Q99571 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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) OPRK1KCNH2OPRM1USP2P2RX4
SCHEMBL13394995 0.86 OPRM1 (0.43) OPRK1KCNH2OPRM1SIRT2SIRT1
SCHEMBL13395011 0.86 OPRM1 (0.43) OPRK1KCNH2OPRM1SIRT2SIRT1
SCHEMBL3174188 0.86 OPRM1 (0.43) OPRK1KCNH2OPRM1SIRT2SIRT1
SCHEMBL3986087 0.86 OPRK1 (0.42) OPRK1KCNH2OPRM1SIRT1CHRM1
SCHEMBL3994605 0.86 USP2 (0.37) USP2CHRM1P2RX4
SCHEMBL3984341 0.85 OPRM1 (0.43) OPRK1KCNH2OPRM1
SCHEMBL3987734 0.84 TRPM8 (0.35) USP2P2RX4TRPM8
SCHEMBL4111531 0.84 MAOA (0.37) OPRM1USP2P2RX4
SCHEMBL3986089 0.83 OPRM1 (0.42) OPRK1KCNH2OPRM1CHRM1P2RX4

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