SCHEMBL8206397

SCHEMBL8206397

CN(Cc1ccncc1)C1CCC(C(C(N)=O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.38
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
ACKR3 P25106 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRM1 P35372 3/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP19A1 P11511 1/20 0.34
CHRM3 P20309 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
ADRB2 P07550 1/20 0.34
CHRM4 P08173 1/20 0.34
ADRB1 P08588 1/20 0.34

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 0.92 AGTR2 (0.43) AGTR2JAK2JAK1ACKR3MEN1
SCHEMBL8207012 0.89 KDM4E (0.47) AGTR2FNTAFNTBALDH1A1OPRM1
SCHEMBL8206924 0.86 AGTR2 (0.43) AGTR2JAK2JAK1ALDH1A1KMT2A
SCHEMBL8206102 0.84 MCHR1 (0.41) AGTR2ACKR3ALDH1A1CHRM3CHRM2
SCHEMBL8206641 0.83 SLC6A4 (0.40) AGTR2JAK2JAK1ALDH1A1HTT
SCHEMBL8199247 0.81 AGTR2 (0.42) AGTR2OPRM1SIGMAR1CHRM3CHRM2
SCHEMBL8207101 0.81 CHRM2 (0.46) MEN1ALDH1A1KMT2AOPRM1SIGMAR1
SCHEMBL8206406 0.80 UBE2M (0.40) ACKR3MEN1ALDH1A1KMT2AOPRM1
SCHEMBL8206842 0.79 MAPT (0.36) ACKR3ALDH1A1GAAHTTKCNH2
Hydrochloric Acid SCHEMBL8209836 0.79 AGTR2 (0.47) AGTR2OPRM1OPRK1

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