SCHEMBL11678770

SCHEMBL11678770

CCCCCCc1cc(OC(=O)CCCN2CCSCC2)c2c(c1)OC(C)(C)C1=C2C2CCN1CC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.44
▸ CNR1 P21554 7/20 0.44
▸ OPRM1 P35372 4/20 0.32
▸ THRA P10827 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ CYP2B6 P20813 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ CYP2J2 P51589 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ TRPV3 Q8NET8 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ TRPV2 Q9Y5S1 1/20 0.31

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
Hydrochloric Acid SCHEMBL11678716 0.92 CNR2 (0.38) CNR2CNR1
Hydrochloric Acid SCHEMBL11678715 0.85 CNR1 (0.31) CNR2CNR1
Hydrochloric Acid SCHEMBL11678033 0.84 CNR2 (0.39) CNR2CNR1
SCHEMBL11680487 0.84 CNR2 (0.39) CNR2CNR1THRATHRB
Hydrochloric Acid SCHEMBL11677294 0.83 CNR2 (0.39) CNR2CNR1THRATHRB
SCHEMBL11677068 0.82 CNR1 (0.36) CNR2CNR1
SCHEMBL11799654 0.82 CNR2 (0.43) CNR2CNR1OPRM1THRATHRB
SCHEMBL11681854 0.81 CNR1 (0.37) CNR2CNR1
SCHEMBL11677771 0.81 CNR2 (0.39) CNR2CNR1THRATHRBHTR2A
SCHEMBL11744497 0.79 CNR2 (0.47) CNR2CNR1

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-4020163-A Use of heterocyclic esters of 5H-[1]benzopyrano [3,4-b]pyridines as analgesics SHARPS ASSOCIATES (US) 1977-04-26 — — US disclosed
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