SCHEMBL3987360

SCHEMBL3987360

CN(CCc1ccccc1)C(=O)Oc1ccc2c(c1)Oc1ccccc1N2C1CC2CCC(C1)N2C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.43
CHRM3 P20309 7/20 0.43
CHRM5 P08912 3/20 0.43
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMPD1 P17405 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LTB4R Q15722 3/20 0.38
LTB4R2 Q9NPC1 3/20 0.38
CHRM2 P08172 5/20 0.38
CHRM4 P08173 1/20 0.35
P2RX4 Q99571 1/20 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
SCHEMBL3173304 0.85 MEN1 (0.46) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL3991990 0.84 ACHE (0.41) CHRM1CHRM3CHRM5MEN1KMT2A
SCHEMBL3984341 0.82 OPRM1 (0.43) SMPD1
SCHEMBL3987042 0.78 USP2 (0.46) ALDH1A1MEN1KMT2AP2RX4ACHE
SCHEMBL3173074 0.74 HTR3E (0.41) CHRM1CHRM3CHRM5MEN1KMT2A
SCHEMBL3175166 0.74 HTR3E (0.41) CHRM1CHRM3CHRM5MEN1KMT2A
SCHEMBL3987395 0.73 OPRM1 (0.42)
SCHEMBL3987430 0.72 OPRK1 (0.42) CHRM1P2RX4
SCHEMBL3991588 0.72 OPRM1 (0.44)
SCHEMBL3987816 0.72 P2RX4 (0.41) ALDH1A1MEN1KMT2AP2RX4ACHE

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