SCHEMBL28043221

SCHEMBL28043221

CC(CCCCS(=O)(=O)Nc1cccc(C(O)CCN)c1)c1cccc(C(O)CCN)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.40
ADRA1A P35348 2/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1B P35368 1/20 0.37
ADRB1 P08588 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTR6 P50406 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
SCHEMBL27821304 0.87 CACNA1F (0.45) ADRB3ADRA1AADRA2CKDM4E
SCHEMBL3133618 0.87 AURKA (0.45) ADRB3ADRA1AADRA2CADRA1BKDM4E
SCHEMBL3125091 0.84 ADRB3 (0.39) ADRB3ADRA1AADRA2CADRA1BADRB1
SCHEMBL15946008 0.78 AURKA (0.47) ADRB3ADRA1AADRA2CKDM4E
SCHEMBL3132483 0.76 HTR6 (0.58) ADRB3HTR6
SCHEMBL3133713 0.76 ACLY (0.41) ADRB3
SCHEMBL13323561 0.74 ADRB3 (0.43) ADRB3ADRA1AADRA2CADRB1KDM4E
SCHEMBL2150585 0.74 ADRB3 (0.43) ADRB3ADRA1AADRA2CKDM4E
SCHEMBL3130816 0.74 CA1 (0.40) ADRB3ADRA1AADRA2CADRA1BKDM4E
SCHEMBL2151160 0.72 ADRB3 (0.40) ADRB3ADRA1AADRB1KDM4E

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-102197023-B Compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-12-16 CN disclosed