SCHEMBL11379114

SCHEMBL11379114

CC(C)(CO)c1ccc(C(=O)CCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 4/20 0.47
▸ OPRK1 P41145 4/20 0.47
▸ OPRM1 P35372 3/20 0.47
▸ CYP2J2 P51589 1/20 0.41
▸ HTR1A P08908 3/20 0.40
▸ DRD2 P14416 3/20 0.40
▸ HRH1 P35367 3/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ ADRA1D P25100 3/20 0.39
▸ ADRA1A P35348 3/20 0.39
▸ ADRA1B P35368 3/20 0.39
▸ CHRM1 P11229 3/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ CHRM5 P08912 2/20 0.38

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 0.91 OPRK1 (0.49) OPRD1OPRK1OPRM1CYP2J2HTR1A
SCHEMBL11369771 0.86 CYP2J2 (0.52) OPRD1OPRK1OPRM1CYP2J2HTR1A
SCHEMBL11373711 0.82 OPRD1 (0.48) OPRD1OPRK1OPRM1CYP2J2HTR1A
SCHEMBL11384846 0.81 OPRM1 (0.47) OPRD1OPRK1OPRM1HTR1ADRD2
SCHEMBL11369436 0.80 OPRM1 (0.41) OPRD1OPRK1OPRM1CYP2J2HTR1A
SCHEMBL11372307 0.80 CYP2J2 (0.63) CYP2J2DRD2HRH1HTR2ADRD3
SCHEMBL11543696 0.78 CYP2J2 (0.63) OPRD1OPRK1OPRM1CYP2J2HTR1A
SCHEMBL11374333 0.78 OPRD1 (0.52) OPRD1OPRK1OPRM1HTR1ADRD2
Hydrochloric Acid SCHEMBL11828383 0.77 CYP2J2 (0.62) OPRD1OPRK1OPRM1CYP2J2HTR1A
Hydrochloric Acid SCHEMBL11833697 0.77 CYP2J2 (0.62) OPRD1OPRK1OPRM1CYP2J2HTR1A

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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