SCHEMBL6947636

SCHEMBL6947636

CCCCN(CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.73
DRD3 P35462 5/20 0.73
DRD2 P14416 4/20 0.73
OPRD1 P41143 4/20 0.73
OPRK1 P41145 4/20 0.73
KCNH2 Q12809 3/20 0.62
CHRM2 P08172 1/20 0.62
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD1 P21728 1/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
SLC6A3 Q01959 1/20 0.62
BCHE P06276 1/20 0.55
TAAR1 Q96RJ0 1/20 0.54

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
SCHEMBL5879246 1.00 OPRM1 (0.73) OPRM1DRD3DRD2OPRD1OPRK1
SCHEMBL12796706 0.98 OPRM1 (0.71) OPRM1DRD3DRD2OPRD1OPRK1
Hydrochloric Acid SCHEMBL2059948 0.98 OPRM1 (0.71) OPRM1DRD3DRD2OPRD1OPRK1
Bromide SCHEMBL11150689 0.93 OPRM1 (0.70) OPRM1DRD3DRD2OPRD1OPRK1
SCHEMBL610828 0.92 OPRM1 (0.74) OPRM1DRD3DRD2OPRD1OPRK1
SCHEMBL4448222 0.92 OPRM1 (0.74) OPRM1DRD3DRD2OPRD1OPRK1
SCHEMBL612825 0.92 OPRM1 (0.74) OPRM1DRD3DRD2OPRD1OPRK1
SCHEMBL12128305 0.92 KCNH2 (0.75) OPRM1DRD3DRD2OPRD1OPRK1
SCHEMBL3854492 0.92 OPRM1 (0.74) OPRM1DRD3DRD2OPRD1OPRK1
SCHEMBL12540441 0.92 OPRM1 (0.74) OPRM1DRD3DRD2OPRD1OPRK1

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
EP-0709376-B1 Phenylpiperidino derivatives as neurokinin antagonists ASTRAZENECA AB (SE) 2003-07-23 EP disclosed