SCHEMBL15085699

SCHEMBL15085699

CCCCc1ccc(N(c2c(C)cccc2CC)C2(N(c3ccc(CCCC)cc3)c3c(C)cccc3CC)C=CC(c3ccc(-c4ccccc4)cc3)C=C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
OPRM1 P35372 8/20 0.34
RARB P10826 3/20 0.33
LTB4R2 Q9NPC1 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL220933 0.83 OPRM1 (0.33) OPRM1
SCHEMBL1304690 0.79 UCHL3 (0.38) HSD11B1RARB
SCHEMBL15085700 0.78 HSD11B1 (0.35) HSD11B1OPRM1RARBLTB4R2
SCHEMBL258163 0.76 RARB (0.43) HSD11B1OPRM1RARB
SCHEMBL6116988 0.74 RARB (0.42) HSD11B1OPRM1RARB
SCHEMBL3956195 0.71 RARB (0.41) HSD11B1OPRM1RARBLTB4R2
SCHEMBL223877 0.70 HSD11B1 (0.31) HSD11B1
SCHEMBL2268708 0.70 CNR2 (0.33) HSD11B1LTB4R2CNR2
SCHEMBL22251692 0.70 OPRM1 (0.44) OPRM1CNR2
SCHEMBL223517 0.69 CNR2 (0.38) HSD11B1OPRM1CNR2

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
US-8481235-B2 Pentanediol ester containing photoconductors XEROX CORPORATION (US) 2013-07-09 US claimed