SCHEMBL11374333

SCHEMBL11374333

CC(C)C(=O)O.O=C(CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 2/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ DRD2 P14416 4/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ HRH1 P35367 2/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ P2RX7 Q99572 1/20 0.43
▸ SETD7 Q8WTS6 1/20 0.43
▸ DRD4 P21917 2/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM5 P08912 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ CHRM1 P11229 1/20 0.42

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
SCHEMBL11545924 0.81 DRD2 (0.64) OPRD1OPRM1OPRK1DRD2HTR1A
SCHEMBL11382091 0.80 OPRK1 (0.49) OPRD1OPRM1OPRK1DRD2HTR1A
Hydrochloric Acid SCHEMBL11543149 0.80 DRD2 (0.63) OPRD1OPRM1OPRK1DRD2HTR1A
SCHEMBL11379114 0.78 OPRD1 (0.47) OPRD1OPRM1OPRK1DRD2HTR1A
SCHEMBL14282966 0.77 OPRD1 (0.60) OPRD1OPRM1OPRK1DRD2HTR1A
SCHEMBL11541244 0.75 DRD2 (0.65) OPRM1DRD2HTR1AHRH1HTR2A
SCHEMBL13904313 0.75 DRD2 (0.65) OPRM1DRD2HTR1AHRH1HTR2A
SCHEMBL11546026 0.74 OPRD1 (0.57) OPRD1OPRM1OPRK1DRD2HTR1A
SCHEMBL11543462 0.74 HTR1A (0.67) OPRD1OPRM1OPRK1DRD2HTR1A
SCHEMBL11543696 0.74 CYP2J2 (0.63) OPRD1OPRM1OPRK1DRD2HTR1A

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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