SCHEMBL8209731

SCHEMBL8209731

Cc1ccc(CCN(C)C2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.39
KCNH2 Q12809 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM3 P20309 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 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
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
KCNE1 P15382 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 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
SCHEMBL8199247 0.93 AGTR2 (0.42) KCNH2CHRM2CHRM3L3MBTL1ADRB2
SCHEMBL8199191 0.92 CHRM2 (0.38) KCNH2CHRM2CHRM3L3MBTL1ADRB2
SCHEMBL8199092 0.91 KMT2A (0.40) KCNH2CHRM2CHRM3ADRB2CHRM4
SCHEMBL8205356 0.91 CHIT1 (0.41) KCNH2CHRM2CHRM3ADRB2CHRM4
SCHEMBL8205282 0.90 CHRM3 (0.45) KCNH2CHRM2CHRM3CHRM4CHRM5
SCHEMBL8211307 0.89 CHRM5 (0.40) KCNH2CHRM2CHRM3L3MBTL1ADRB2
SCHEMBL8206274 0.88 SLC18A3 (0.43) L3MBTL1AGTR2SLC18A3GRIN2B
SCHEMBL8209743 0.88 SLC18A3 (0.43) L3MBTL1AGTR2SLC18A3GRIN2B
SCHEMBL8206075 0.87 CRHBP (0.39) KCNH2CHRM2CHRM3HTR2A
SCHEMBL8211722 0.87 KDM1A (0.39) KCNH2L3MBTL1DRD2

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