SCHEMBL11741078

SCHEMBL11741078

CC1CCC2=C(C1)c1c(O)cc(CCCC3CCCC3)cc1OC2(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 12/20 0.76
▸ CNR1 P21554 10/20 0.76
▸ MEN1 O00255 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ TRPV1 Q8NER1 4/20 0.37
▸ TRPA1 O75762 2/20 0.37
▸ TRPV3 Q8NET8 2/20 0.37
▸ TRPV4 Q9HBA0 2/20 0.37
▸ TRPV2 Q9Y5S1 2/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ CYP2J2 P51589 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37

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
SCHEMBL16124349 0.88 CNR2 (0.94) CNR2CNR1MEN1GAAKMT2A
SCHEMBL31103617 0.87 CNR2 (1.00) CNR2CNR1MEN1GAAKMT2A
SCHEMBL5090381 0.87 CNR2 (1.00) CNR2CNR1MEN1GAAKMT2A
SCHEMBL4537590 0.87 CNR2 (1.00) CNR2CNR1MEN1GAAKMT2A
SCHEMBL1114914 0.86 CNR2 (0.98) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11759992 0.85 CNR2 (0.59) CNR2CNR1MEN1GAAKMT2A
SCHEMBL22783274 0.83 CNR2 (0.78) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11736907 0.82 CNR2 (0.52) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11328812 0.80 CNR2 (0.56) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11636642 0.79 CNR2 (0.49) CNR2CNR1MEN1GAAKMT2A

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-4051152-A TRANQUILIZERS, ANALGESICS SHARPS ASSOCIATES (US) 1977-09-27 — — US disclosed
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