SCHEMBL8199247

SCHEMBL8199247

CN(CCc1ccccc1)C1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.42
SLC18A3 Q16572 2/20 0.41
GRIN2B Q13224 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
DRD2 P14416 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
HRH2 P25021 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
HTR7 P34969 1/20 0.38
CHIA Q9BZP6 1/20 0.38
SLC6A4 P31645 2/20 0.38
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
ADRB1 P08588 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 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
SCHEMBL8206274 0.94 SLC18A3 (0.43) AGTR2SLC18A3GRIN2BL3MBTL1SIGMAR1
SCHEMBL8209743 0.94 SLC18A3 (0.43) AGTR2SLC18A3GRIN2BL3MBTL1SIGMAR1
SCHEMBL8209731 0.93 HRH1 (0.39) AGTR2SLC18A3GRIN2BL3MBTL1DRD2
SCHEMBL8199191 0.93 CHRM2 (0.38) AGTR2SLC18A3GRIN2BL3MBTL1SIGMAR1
SCHEMBL8205248 0.93 SLC18A3 (0.45) AGTR2SLC18A3GRIN2BL3MBTL1SIGMAR1
Hydrochloric Acid SCHEMBL8209836 0.93 AGTR2 (0.47) AGTR2SLC18A3GRIN2BOPRM1OPRK1
SCHEMBL8205356 0.92 CHIT1 (0.41) AGTR2SLC18A3DRD2ADRA2BADRA2C
SCHEMBL8199092 0.92 KMT2A (0.40) AGTR2DRD2ADRA2BADRA2CHRH2
SCHEMBL8205282 0.92 CHRM3 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8199536 0.90 AOC3 (0.42) AGTR2SIGMAR1DRD2ADRA2BADRA2C

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