SCHEMBL11335622

SCHEMBL11335622

CCCCCC(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)c1ccncc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.46
▸ CNR1 P21554 6/20 0.38
▸ CCNC P24863 8/20 0.38
▸ CDK8 P49336 8/20 0.38
▸ HASPIN Q8TF76 7/20 0.38
▸ CDK19 Q9BWU1 1/20 0.37
▸ TRPA1 O75762 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ CYP2J2 P51589 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL11340122 0.99 CNR2 (0.47) CNR2CNR1CCNCCDK8HASPIN
SCHEMBL11332113 0.99 CNR2 (0.47) CNR2CNR1CCNCCDK8HASPIN
SCHEMBL11319343 0.97 CNR2 (0.45) CNR2CNR1CCNCCDK8HASPIN
SCHEMBL11323763 0.91 CNR2 (0.45) CNR2CNR1CCNCCDK8HASPIN
SCHEMBL11319420 0.85 CCNC (0.41) CNR2CCNCCDK8HASPINCDK19
SCHEMBL11323764 0.85 CNR2 (0.46) CNR2CNR1CCNCCDK8HASPIN
SCHEMBL11319392 0.85 CNR2 (0.47) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL11323731 0.84 CNR2 (0.38) CNR2CCNCCDK8HASPINCDK19
SCHEMBL11318877 0.84 CNR2 (0.48) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL11319361 0.84 CNR2 (0.48) CNR2CNR1TRPA1CYP1A1CYP1A2

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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