SCHEMBL28335486

SCHEMBL28335486

O=C(O)CC(=O)CCCN1CCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 14/20 0.62
CHRM4 P08173 14/20 0.62
CHRM1 P11229 14/20 0.62
CHRM3 P20309 13/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL30674384 0.89 MEN1 (0.68) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL1105634 0.84 MEN1 (0.65) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL27565139 0.84 DRD2 (0.62) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL29930745 0.83 MEN1 (0.82) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL1091210 0.83 MEN1 (0.82) CHRM2CHRM4CHRM1CHRM3MEN1
Hydrochloric Acid SCHEMBL5797212 0.82 MEN1 (0.80) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL28004428 0.82 MEN1 (0.69) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL20148244 0.78 ALDH1A1 (0.70) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL8343391 0.78 CHRM2 (0.68) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL1102038 0.77 CHRM2 (0.70) CHRM2CHRM4CHRM1CHRM3MEN1

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-110325516-A HETEROARYL COMPOUNDS AND THEIR USE 米尼奥尔克斯治疗有限公司 2019-10-11 CN disclosed