SCHEMBL11565894

SCHEMBL11565894

CC1(C(=O)Nc2ccc(OCC3CC3)cc2)CC1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
NR1H4 Q96RI1 1/20 0.40
SCN9A Q15858 1/20 0.40
ACACB O00763 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
ADAM17 P78536 1/20 0.39
GCGR P47871 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL11435809 0.84 CNR2 (0.48) CNR2PARP15PARP10PARP2NR1H4
SCHEMBL11565229 0.84 MAPT (0.46) CNR2NR1H4ACACBTP53
SCHEMBL11564384 0.83 CNR2 (0.47) CNR2PARP15PARP10PARP2NR1H4
SCHEMBL11566816 0.83 CNR2 (0.43) CNR2ADAM17TP53PKM
SCHEMBL11561949 0.82 RAB9A (0.54)
SCHEMBL11568140 0.81 MAOA (0.46) CNR2FNTAFNTBPKM
SCHEMBL11564075 0.80 GLA (0.49) CNR2TP53
SCHEMBL11565667 0.79 MAOB (0.48) PARP15PARP10SCN9AFNTAFNTB
SCHEMBL11560701 0.79 ALDH1A1 (0.44) FNTAFNTB
SCHEMBL11560520 0.76 CNR2 (0.36) CNR2TP53

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-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 US disclosed