SCHEMBL8205356

SCHEMBL8205356

CN(CCc1ccc(C(C)(C)C)cc1)C1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 1/20 0.41
CHIA Q9BZP6 1/20 0.41
LMNA P02545 1/20 0.39
ESRRG P62508 2/20 0.38
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
ADRB1 P08588 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
KCNE1 P15382 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
HRH2 P25021 1/20 0.37

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 0.92 AGTR2 (0.42) CHIAADRB2CHRM2CHRM4ADRB1
SCHEMBL8199191 0.91 CHRM2 (0.38) CHIAADRB2CHRM2CHRM4ADRB1
SCHEMBL8209731 0.91 HRH1 (0.39) CHIT1CHIAADRB2CHRM2CHRM4
SCHEMBL8199092 0.90 KMT2A (0.40) CHIT1CHIAMEN1KMT2AADRB2
SCHEMBL8205282 0.89 CHRM3 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8206274 0.87 SLC18A3 (0.43) AGTR2POLBCACNA1CSLC18A3
SCHEMBL8209743 0.87 SLC18A3 (0.43) AGTR2POLBCACNA1CSLC18A3
SCHEMBL8206075 0.86 CRHBP (0.39) KMT2ACHRM2CHRM3HTR2AKCNH2
SCHEMBL8211722 0.86 KDM1A (0.39) MEN1KMT2ADRD2KCNH2NPSR1
SCHEMBL8205248 0.86 SLC18A3 (0.45) OPRM1OPRK1AGTR2POLBCACNA1C

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