SCHEMBL9220751

SCHEMBL9220751

CC(N)CCCCCC(C)(F)F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
TP53 P04637 1/20 0.38
TRPV1 Q8NER1 1/20 0.34
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL26863781 0.81 OPRM1 (0.50) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL22224030 0.80
Water SCHEMBL10400451 0.79 OPRM1 (0.48) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL17882175 0.78 LMNA (0.43) ACACBACACA
SCHEMBL10706765 0.78 OPRM1 (0.52) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL10922365 0.77 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL26101017 0.77 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL49007 0.77 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL28211132 0.77 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1ALDH1A1
SCHEMBL7734724 0.77 OPRM1 (0.71) OPRM1TP53TRPV1TRPA1ALDH1A1

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-5405997-A Stable against rapid metabolism THE UPJOHN COMPANY (US) 1995-04-11 US disclosed