SCHEMBL28204841

SCHEMBL28204841

CN(CCN1C[C@H]2CC(N(C(=O)O)c3ccccc3-c3ccccc3)C[C@H]2C1)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.61
ACHE P22303 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM4 P08173 1/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM3 P20309 2/20 0.38
MCHR1 Q99705 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
SCHEMBL28524774 0.91 CHRM2 (0.68) CHRM2ACHEKDM4EALDH1A1CHRM4
SCHEMBL28204839 0.82 CHRM2 (0.85) CHRM2CHRM3
SCHEMBL28136567 0.82 CHRM2 (0.39) CHRM2ACHEKDM4EALDH1A1CHRM4
Carbamic Acid SCHEMBL29018025 0.80 CHRM2 (0.69) CHRM2ACHEKDM4EALDH1A1CHRM4
SCHEMBL28524727 0.80 CHRM2 (0.53) CHRM2ACHECHRM4OPRM1OPRD1
SCHEMBL28896706 0.78 CHRM2 (0.60) CHRM2ACHEKDM4EALDH1A1NPC1
SCHEMBL28521333 0.78 CHRM2 (0.51) CHRM2ACHECHRM4OPRM1OPRD1
SCHEMBL6021912 0.77 CHRM2 (0.56) CHRM2ACHEKDM4EALDH1A1CHRM4
SCHEMBL29018251 0.77 CHRM2 (0.72) CHRM2ACHEKDM4EALDH1A1NPC1
SCHEMBL28953805 0.76 CHRM2 (0.67) CHRM2ACHEKDM4EALDH1A1AKT1

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
CN-107849047-A Biphenyl derivative, preparation method and medical application thereof 四川海思科制药有限公司 2018-03-27 CN disclosed