SCHEMBL11331736

SCHEMBL11331736

CCCCc1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.65
▸ CNR1 P21554 13/20 0.65
▸ TRPA1 O75762 2/20 0.65
▸ TRPV1 Q8NER1 2/20 0.65
▸ TRPV3 Q8NET8 2/20 0.65
▸ TRPV4 Q9HBA0 2/20 0.65
▸ TRPV2 Q9Y5S1 2/20 0.65
▸ CYP1A1 P04798 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP2A6 P11509 1/20 0.65
▸ CYP2B6 P20813 1/20 0.65
▸ SLC6A2 P23975 1/20 0.65
▸ HTR2A P28223 1/20 0.65
▸ SLC6A4 P31645 1/20 0.65
▸ OPRM1 P35372 1/20 0.65
▸ CYP2J2 P51589 1/20 0.65
▸ CYP1B1 Q16678 1/20 0.65
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL11319224 0.97 CNR2 (0.71) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL11319393 0.96 CNR2 (0.69) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL11318880 0.96 CNR2 (0.69) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL11319362 0.96 CNR2 (0.69) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL11321124 0.96 CNR2 (0.69) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL11331422 0.88 CNR2 (0.55) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL11331501 0.88 CNR2 (0.56) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL11322675 0.88 CNR2 (0.57) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL11324316 0.86 CNR2 (0.52) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL11321070 0.86 CNR2 (0.55) CNR2CNR1TRPA1TRPV1TRPV3

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-4254116-A ANALGESICS, ANTIDEPRESSANTS, NEUTRALIZING AGENTS ABBOTT LABORATORIES (US) 1981-03-03 — — US disclosed
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