SCHEMBL11384846

SCHEMBL11384846

CCCCCCOC(=O)C(C)(C)c1ccc(C(=O)CCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ CHRM1 P11229 4/20 0.39
▸ HRH1 P35367 3/20 0.39
▸ CHRM2 P08172 3/20 0.39
▸ CHRM4 P08173 3/20 0.39
▸ CHRM5 P08912 3/20 0.39
▸ CHRM3 P20309 3/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ HRH2 P25021 2/20 0.38
▸ THRB P10828 2/20 0.37

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
SCHEMBL11382091 0.83 OPRK1 (0.49) OPRM1OPRD1OPRK1CHRM1HRH1
SCHEMBL11379114 0.81 OPRD1 (0.47) OPRM1OPRD1OPRK1CHRM1HRH1
SCHEMBL11382034 0.78 OPRK1 (0.50) OPRM1OPRD1OPRK1CHRM1HRH1
Hydrochloric Acid SCHEMBL11380464 0.78 OPRK1 (0.49) OPRM1OPRD1OPRK1CHRM1HRH1
SCHEMBL11376047 0.73 CYP2J2 (0.58) HRH1DRD2KCNH2
SCHEMBL11371371 0.72 OPRK1 (0.53) OPRM1OPRD1OPRK1CHRM1HRH1
SCHEMBL11543696 0.72 CYP2J2 (0.63) OPRM1OPRD1OPRK1CHRM1HRH1
SCHEMBL11374333 0.71 OPRD1 (0.52) OPRM1OPRD1OPRK1CHRM1HRH1
Hydrochloric Acid SCHEMBL11833697 0.71 CYP2J2 (0.62) OPRM1OPRD1OPRK1CHRM1HRH1
Hydrochloric Acid SCHEMBL11828383 0.71 CYP2J2 (0.62) OPRM1OPRD1OPRK1CHRM1HRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4285958-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US disclosed
US-4254130-A ANTIALLERGENS RICHARDSON-MERRELL INC. (US) 1981-03-03 — — US disclosed
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