SCHEMBL3987571

SCHEMBL3987571

CCN(CC)C(=O)Oc1ccc2c(c1)Oc1ccccc1N2C1CC2CCC(C1)N2CC=C(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
ACHE P22303 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
MAOA P21397 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
SCHEMBL3991990 0.87 ACHE (0.41) P2RX4MEN1KMT2ANPC1POLB
SCHEMBL3987042 0.86 USP2 (0.46) P2RX4MEN1KMT2ANPC1RAB9A
SCHEMBL13395039 0.85 OPRM1 (0.45) P2RX4OPRM1OPRD1
SCHEMBL3173143 0.85 OPRM1 (0.45) P2RX4OPRM1OPRD1
SCHEMBL13394996 0.85 OPRM1 (0.45) P2RX4OPRM1OPRD1
SCHEMBL3984341 0.85 OPRM1 (0.43) OPRM1OPRD1
SCHEMBL3986089 0.83 OPRM1 (0.42) P2RX4MEN1KMT2APOLBACHE
SCHEMBL3986087 0.83 OPRK1 (0.42) P2RX4MEN1KMT2ANPC1POLB
SCHEMBL3994605 0.83 USP2 (0.37) P2RX4MEN1KMT2ANPC1POLB
SCHEMBL3987816 0.82 P2RX4 (0.41) P2RX4MEN1KMT2ANPC1POLB

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