SCHEMBL11852247

SCHEMBL11852247

CCCCCc1cc(OC(C)=O)c2c(c1)OC(CC)(CC)C1=C2CNC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.53
▸ CNR1 P21554 7/20 0.53
▸ OPRM1 P35372 3/20 0.37
▸ TRPV1 Q8NER1 3/20 0.36
▸ 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
▸ CYP2J2 P51589 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ TRPV2 Q9Y5S1 1/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL11777471 0.77 CNR2 (0.64) CNR2CNR1OPRM1TRPV1TRPA1
SCHEMBL11774789 0.73 CNR2 (0.57) CNR2CNR1OPRM1TRPV1TRPA1
SCHEMBL11738348 0.73 CNR2 (0.71) CNR2CNR1OPRM1TRPV1TRPA1
SCHEMBL11774532 0.73 CNR2 (0.42) CNR2CNR1
SCHEMBL11744699 0.71 CNR2 (0.56) CNR2CNR1OPRM1TRPV1TRPA1
SCHEMBL11810292 0.71 CNR2 (0.40) CNR2CNR1
SCHEMBL11775042 0.69 CNR2 (0.40) CNR2CNR1
SCHEMBL23629149 0.69 CNR2 (0.72) CNR2CNR1OPRM1TRPV1TRPA1
SCHEMBL31103606 0.69 CNR2 (0.72) CNR2CNR1OPRM1TRPV1TRPA1
SCHEMBL11780197 0.68 CNR2 (0.59) CNR2CNR1OPRM1TRPV1TRPA1

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-3994922-A Benzopyrans and intermediates for the preparation of pyrrolo benzopyrans ARTHUR D. LITTLE, INC. (US) 1976-11-30 — — US disclosed
Send feedback