SCHEMBL11677771

SCHEMBL11677771

CCCCCc1cc(OC(=O)CCCCN2CCCCC2)c2c(c1)OC(CCC)(CCC)C1=C2C2CCN1CC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.39
▸ CNR1 P21554 3/20 0.39
▸ ESR1 P03372 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HRH1 P35367 2/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ THRA P10827 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ HTR2A P28223 1/20 0.30

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 SCHEMBL11680599 0.87 CNR2 (0.41) CNR2CNR1HRH3KMT2A
Hydrochloric Acid SCHEMBL11678033 0.81 CNR2 (0.39) CNR2CNR1
SCHEMBL11678770 0.81 CNR2 (0.44) CNR2CNR1THRATHRBHTR2A
SCHEMBL11680487 0.77 CNR2 (0.39) CNR2CNR1THRATHRB
SCHEMBL11678224 0.77 CNR2 (0.46) CNR2CNR1HTR2A
Hydrochloric Acid SCHEMBL11677294 0.76 CNR2 (0.39) CNR2CNR1KMT2ATHRATHRB
Hydrochloric Acid SCHEMBL11678139 0.76 CNR1 (0.33) CNR2CNR1
SCHEMBL11677068 0.76 CNR1 (0.36) CNR2CNR1
SCHEMBL11681854 0.76 CNR1 (0.37) CNR2CNR1
SCHEMBL11810292 0.75 CNR2 (0.40) CNR2CNR1ESR1HRH3ALOX15

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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