SCHEMBL3991990

SCHEMBL3991990

CCN(CC)C(=O)Oc1ccc2c(c1)Oc1ccccc1N2C1CC2CCC(C1)N2C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
P2RX4 Q99571 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 1/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
CHRM5 P08912 1/20 0.37

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
SCHEMBL3984341 0.89 OPRM1 (0.43) OPRM1OPRD1
SCHEMBL3987042 0.88 USP2 (0.46) ACHEP2RX4MEN1KMT2ANPC1
SCHEMBL3987816 0.88 P2RX4 (0.41) ACHEP2RX4MEN1KMT2ANPC1
SCHEMBL3987571 0.87 P2RX4 (0.37) ACHEP2RX4MEN1KMT2ANPC1
SCHEMBL3988365 0.87 OPRM1 (0.39) ACHEMEN1KMT2ANPC1POLB
SCHEMBL3986089 0.85 OPRM1 (0.42) ACHEP2RX4MEN1KMT2APOLB
SCHEMBL3994605 0.84 USP2 (0.37) P2RX4MEN1KMT2ANPC1POLB
SCHEMBL3986087 0.84 OPRK1 (0.42) ACHEP2RX4MEN1KMT2ANPC1
SCHEMBL3987360 0.84 CHRM1 (0.43) ACHEP2RX4MEN1KMT2ACHRM1
SCHEMBL3182429 0.83 OPRM1 (0.48) P2RX4OPRM1OPRD1

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