SCHEMBL11369771

SCHEMBL11369771

CC(C)(CO)c1ccc(C(=O)CCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 6/20 0.52
▸ OPRK1 P41145 2/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ OPRD1 P41143 1/20 0.52
▸ DRD2 P14416 5/20 0.50
▸ HTR1A P08908 4/20 0.50
▸ HTR2A P28223 4/20 0.50
▸ HRH1 P35367 4/20 0.50
▸ DRD3 P35462 4/20 0.50
▸ HTR2B P41595 4/20 0.50
▸ SLC6A4 P31645 3/20 0.50
▸ HTR7 P34969 3/20 0.50
▸ HTR2C P28335 2/20 0.48
▸ ADRA1D P25100 2/20 0.48
▸ ADRA1A P35348 2/20 0.48
▸ ADRA1B P35368 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MLNR O43193 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ EGFR P00533 1/20 0.48

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
SCHEMBL11543696 0.90 CYP2J2 (0.63) CYP2J2OPRK1OPRM1OPRD1DRD2
Hydrochloric Acid SCHEMBL11828383 0.89 CYP2J2 (0.62) CYP2J2OPRK1OPRM1OPRD1DRD2
Hydrochloric Acid SCHEMBL11833697 0.89 CYP2J2 (0.62) CYP2J2OPRK1OPRM1OPRD1DRD2
Hydrochloric Acid SCHEMBL11544185 0.89 CYP2J2 (0.62) CYP2J2OPRK1OPRM1OPRD1DRD2
SCHEMBL11371371 0.88 OPRK1 (0.53) CYP2J2OPRK1OPRM1OPRD1DRD2
SCHEMBL11831920 0.86 CYP2J2 (0.59) CYP2J2OPRK1OPRM1OPRD1DRD2
SCHEMBL11545924 0.86 DRD2 (0.64) OPRK1OPRM1OPRD1DRD2HTR1A
SCHEMBL11379114 0.86 OPRD1 (0.47) CYP2J2OPRK1OPRM1OPRD1DRD2
SCHEMBL11864675 0.86 CYP2J2 (0.58) CYP2J2OPRK1OPRM1OPRD1DRD2
Hydrochloric Acid SCHEMBL11831531 0.85 CYP2J2 (0.58) CYP2J2OPRK1OPRM1OPRD1DRD2

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 3 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 claimed
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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