SCHEMBL10988977

SCHEMBL10988977

CCCCCc1cc(O)c2c(c1)OC(C)(C)CC2=NCC(C)OC(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.42
▸ CNR1 P21554 6/20 0.42
▸ TRPV1 Q8NER1 5/20 0.41
▸ OPRM1 P35372 4/20 0.41
▸ TRPA1 O75762 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ TRPV3 Q8NET8 2/20 0.41
▸ TRPV4 Q9HBA0 2/20 0.41
▸ TRPV2 Q9Y5S1 2/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ CYP2J2 P51589 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LDHA P00338 1/20 0.36

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
SCHEMBL10991369 0.92 CNR2 (0.46) CNR2CNR1TRPV1OPRM1TRPA1
SCHEMBL10982991 0.92 CNR2 (0.46) CNR2CNR1TRPV1OPRM1TRPA1
SCHEMBL10985876 0.92 CNR2 (0.46) CNR2CNR1TRPV1OPRM1TRPA1
SCHEMBL10992530 0.85 CNR2 (0.46) CNR2CNR1TRPV1OPRM1TRPA1
SCHEMBL10990653 0.85 CNR2 (0.46) CNR2CNR1TRPV1OPRM1TRPA1
SCHEMBL10994157 0.85 CNR2 (0.46) CNR2CNR1TRPV1OPRM1TRPA1
Hydrochloric Acid SCHEMBL10984924 0.84 CNR2 (0.45) CNR2CNR1TRPV1OPRM1TRPA1
SCHEMBL10987932 0.84 CNR2 (0.45) CNR2CNR1TRPV1OPRM1TRPA1
SCHEMBL10985994 0.84 CNR2 (0.46) CNR2CNR1TRPV1OPRM1TRPA1
SCHEMBL10987107 0.84 CNR2 (0.45) CNR2CNR1TRPV1OPRM1TRPA1

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-4497820-A Substituted iminoderivatives of dihydrobenzopyran and dihydrobenzothiopyran FARMITALIA CARLO ERBA S.P.A. (IT) 1985-02-05 — — US disclosed
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