SCHEMBL3986089

SCHEMBL3986089

CCN(CC)C(=O)Oc1ccc2c(c1)Oc1ccccc1N2C1CC2CCC(C1)N2Cc1cccs1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRD1 P41143 4/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
P2RX4 Q99571 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
ACHE P22303 1/20 0.35

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 0.88 USP2 (0.46) OPRM1OPRK1KCNH2CYP2D6CYP2C19
SCHEMBL3987734 0.87 TRPM8 (0.35) MEN1KMT2ASMN1; SMN2POLBP2RX4
SCHEMBL3175285 0.86 OPRM1 (0.47) OPRM1OPRK1KCNH2CYP2D6CYP2C19
SCHEMBL13395037 0.86 OPRM1 (0.47) OPRM1OPRK1KCNH2CYP2D6CYP2C19
SCHEMBL13394988 0.86 OPRM1 (0.47) OPRM1OPRK1KCNH2CYP2D6CYP2C19
SCHEMBL3991990 0.85 ACHE (0.41) OPRM1OPRD1MEN1LMNAKMT2A
SCHEMBL3994605 0.85 USP2 (0.37) MEN1KMT2ASMN1; SMN2POLBP2RX4
SCHEMBL3986087 0.85 OPRK1 (0.42) OPRM1OPRK1KCNH2OPRD1MEN1
SCHEMBL3987571 0.83 P2RX4 (0.37) OPRM1OPRD1MEN1KMT2APOLB
SCHEMBL3984341 0.83 OPRM1 (0.43) OPRM1OPRK1KCNH2OPRD1

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