SCHEMBL15949463

SCHEMBL15949463

CC1(C)CCC(C)(C)c2cc(CCC(=O)N3CC(N4CCN(C(=O)c5ccccc5)CC4)C3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
CYP26B1 Q9NR63 2/20 0.45
CYP26A1 O43174 1/20 0.45
KDM4E B2RXH2 4/20 0.43
KDM4A O75164 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
ALDH1A1 P00352 4/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
MGLL Q99685 1/20 0.41
MEN1 O00255 1/20 0.41
KCNH2 Q12809 1/20 0.41
BLM P54132 1/20 0.40

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
SCHEMBL912305 0.82 MGLL (0.44) MGLL
SCHEMBL3773895 0.81 ALDH1A1 (0.55) KDM4EALDH1A1POLBKMT2ATSHR
SCHEMBL15949415 0.81 ALDH1A1 (0.48) KDM4EKDM4AKDM5CKDM4CKDM2A
SCHEMBL15949434 0.81 KDM4E (0.53) KDM4EKDM4AKDM5CKDM4CKDM2A
SCHEMBL15949180 0.81 TACR2 (0.48) OPRM1KDM4EKDM4AKDM5CKDM4C
SCHEMBL15949278 0.80 MGLL (0.57) KDM4EKDM4AKDM5CKDM4CKDM2A
SCHEMBL15949250 0.79 KMT2A (0.50) KDM4EKDM4AKDM5CKDM4CKDM2A
SCHEMBL15949302 0.79 MEN1 (0.54) KDM4EKDM4AKDM5CKDM4CKDM2A
SCHEMBL15949382 0.78 ALDH1A1 (0.56) KDM4EALDH1A1POLBKMT2ATSHR
SCHEMBL911811 0.77 MGLL (0.56) KDM4EKDM4AKDM5CKDM4CKDM2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP disclosed