SCHEMBL3986087

SCHEMBL3986087

CCN(CC)C(=O)Oc1ccc2c(c1)Oc1ccccc1N2C1CC2CCC(C1)N2Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.42
OPRM1 P35372 2/20 0.42
KCNH2 Q12809 1/20 0.42
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
OPRD1 P41143 1/20 0.37
SIRT1 Q96EB6 1/20 0.36
P2RX4 Q99571 1/20 0.35
CHRM1 P11229 1/20 0.35
ACHE P22303 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 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 0.88 USP2 (0.46) OPRK1OPRM1KCNH2ALDH1A1TSHR
SCHEMBL4111531 0.87 MAOA (0.37) OPRM1OPRD1P2RX4ACHEMEN1
SCHEMBL3987734 0.87 TRPM8 (0.35) P2RX4ACHETRPM8MEN1NPC1
SCHEMBL13394990 0.86 OPRM1 (0.42) OPRK1OPRM1KCNH2OPRD1SIRT1
SCHEMBL13395040 0.86 OPRM1 (0.42) OPRK1OPRM1KCNH2OPRD1SIRT1
SCHEMBL3167429 0.86 OPRM1 (0.42) OPRK1OPRM1KCNH2OPRD1SIRT1
SCHEMBL3987430 0.86 OPRK1 (0.42) OPRK1OPRM1KCNH2SIRT1P2RX4
SCHEMBL3986089 0.85 OPRM1 (0.42) OPRK1OPRM1KCNH2LMNAOPRD1
SCHEMBL3991990 0.84 ACHE (0.41) OPRM1LMNAOPRD1P2RX4CHRM1
SCHEMBL3994605 0.84 USP2 (0.37) ALDH1A1TSHRP2RX4CHRM1MEN1

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