SCHEMBL28192547

SCHEMBL28192547

CC(=O)N(CCNCCc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.59
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
REN P00797 1/20 0.47
ACHE P22303 1/20 0.46
SIGMAR1 Q99720 5/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSPO P30536 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL4153728 0.84 ACHE (0.52) ACHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL1838733 0.83 ALDH1A1 (0.49) OPRM1ACHEALDH1A1HPGDSMN1; SMN2
SCHEMBL11247639 0.81 KDM4E (0.46) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL1832831 0.79 MTNR1A (0.49) ACHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL10099720 0.78 MEN1 (0.62) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11855609 0.78 MTNR1A (0.70) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL13852906 0.76 MEN1 (0.49) ACHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL27526983 0.75 TP53 (0.53) ACHEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL17361052 0.75 LTB4R2 (0.47) OPRM1ACHEALDH1A1SMN1; SMN2MEN1
SCHEMBL9261769 0.74 ALDH1A1 (0.66) DRD2DRD4OPRM1DRD3SIGMAR1

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-105541750-B A kind of preparation method of Mirabegron analysis of control product 湖南方盛制药股份有限公司 2018-01-05 CN disclosed