SCHEMBL11780197

SCHEMBL11780197

CCCCCCCCCCCCCCCCCCc1cc(O)c2c(c1)OC(CC)(CC)C1=C2CCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.59
▸ CNR1 P21554 12/20 0.54
▸ TRPV1 Q8NER1 4/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ CYP2J2 P51589 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ TRPV3 Q8NET8 1/20 0.46
▸ TRPV4 Q9HBA0 1/20 0.46
▸ TRPV2 Q9Y5S1 1/20 0.46
▸ ABHD12 Q8N2K0 3/20 0.40
▸ ABHD6 Q9BV23 3/20 0.40
▸ FAAH O00519 2/20 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
SCHEMBL11739308 0.87 CNR2 (0.72) CNR2CNR1TRPV1TRPA1CYP1A1
SCHEMBL11737623 0.87 CNR2 (0.72) CNR2CNR1TRPV1TRPA1CYP1A1
SCHEMBL11816067 0.86 CNR2 (0.71) CNR2CNR1TRPV1TRPA1CYP1A1
SCHEMBL31544847 0.84 CNR2 (0.71) CNR2CNR1TRPV1TRPA1CYP1A1
SCHEMBL11737119 0.84 CNR2 (0.71) CNR2CNR1TRPV1TRPA1CYP1A1
SCHEMBL11774187 0.80 CNR2 (0.52) CNR2CNR1TRPV1TRPA1CYP1A1
SCHEMBL11774532 0.78 CNR2 (0.42) CNR2CNR1
SCHEMBL11778876 0.78 CNR2 (0.37) CNR2CNR1
SCHEMBL11736638 0.76 CNR2 (0.58) CNR2CNR1TRPV1TRPA1CYP1A1
SCHEMBL11733885 0.76 CNR2 (0.58) CNR2CNR1TRPV1TRPA1CYP1A1

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
Send feedback