SCHEMBL8207101

SCHEMBL8207101

COc1cccc(CN(C)C2CCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.42
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
CALM1 P0DP23 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
CCR5 P51681 1/20 0.39
ACHE P22303 1/20 0.39
OPRM1 P35372 1/20 0.39
HSD17B2 P37059 3/20 0.39
TAS2R14 Q9NYV8 2/20 0.39
SIGMAR1 Q99720 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
SCHEMBL8199055 0.88 AGTR2 (0.43) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL8206641 0.87 SLC6A4 (0.40) CHRM2CHRM1CHRM3ALDH1A1GRM2
SCHEMBL8206924 0.82 AGTR2 (0.43) CHRM2CHRM1CHRM3KMT2AALDH1A1
SCHEMBL8205282 0.82 CHRM3 (0.45) CHRM2CHRM1CHRM3ALOX5OPRM1
SCHEMBL8206397 0.81 AGTR2 (0.38) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL8207012 0.80 KDM4E (0.47) CHRM2CHRM1CHRM3ALDH1A1GRM2
SCHEMBL8207099 0.80 KDM4E (0.46) CHRM2CHRM1CHRM3KMT2AMEN1
SCHEMBL8199247 0.79 AGTR2 (0.42) CHRM2CHRM1CHRM3OPRM1SIGMAR1
Hydrochloric Acid SCHEMBL8209836 0.77 AGTR2 (0.47) ALOX5OPRM1
SCHEMBL8208772 0.77 CHRM3 (0.45) CHRM2CHRM1CHRM3ALOX5OPRM1

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