SCHEMBL8206587

SCHEMBL8206587

CN(CCCc1ccccc1)C1CCCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.47
AGTR2 P50052 6/20 0.47
GRIN2B Q13224 4/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
GRIN1 Q05586 1/20 0.41
ALOX5 P09917 1/20 0.40
CHRM3 P20309 1/20 0.39

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
SCHEMBL8209743 0.94 SLC18A3 (0.43) SLC18A3AGTR2GRIN2B
SCHEMBL8206274 0.94 SLC18A3 (0.43) SLC18A3AGTR2GRIN2B
SCHEMBL8205248 0.93 SLC18A3 (0.45) SLC18A3AGTR2GRIN2BOPRM1OPRK1
Hydrochloric Acid SCHEMBL8209836 0.93 AGTR2 (0.47) SLC18A3AGTR2GRIN2BOPRM1OPRD1
SCHEMBL8199247 0.89 AGTR2 (0.42) SLC18A3AGTR2GRIN2BOPRM1OPRK1
SCHEMBL8206924 0.87 AGTR2 (0.43) SLC18A3AGTR2GRIN2BOPRM1OPRK1
SCHEMBL8208772 0.86 CHRM3 (0.45) OPRM1ALOX5CHRM3
SCHEMBL8199191 0.83 CHRM2 (0.38) SLC18A3AGTR2GRIN2BOPRM1OPRK1
SCHEMBL8209731 0.83 HRH1 (0.39) SLC18A3AGTR2GRIN2BOPRM1OPRK1
SCHEMBL8205356 0.82 CHIT1 (0.41) SLC18A3AGTR2OPRM1OPRK1CHRM3

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-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed