SCHEMBL9685296

SCHEMBL9685296

CCCCN(CCCC)C(=O)c1ccc(CCCNCC(O)COc2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
ADRB1 P08588 8/20 0.44
ADRB3 P13945 7/20 0.44
ADRB2 P07550 3/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL9685304 1.00 ATM (0.45) ATMADRB1ADRB3ADRB2CYP1A2
SCHEMBL9684113 0.86 KDM4E (0.47) ADRB1ADRB3ADRB2CYP1A2MEN1
SCHEMBL9684101 0.86 KDM4E (0.47) ADRB1ADRB3ADRB2CYP1A2MEN1
SCHEMBL9685400 0.85 ADRB1 (0.47) ATMADRB1ADRB3ADRB2CYP1A2
SCHEMBL9684877 0.83 ADRB1 (0.51) ATMADRB1ADRB3ADRB2CYP1A2
SCHEMBL9684869 0.83 ADRB1 (0.51) ATMADRB1ADRB3ADRB2CYP1A2
SCHEMBL9684236 0.83 MEN1 (0.48) ATMADRB1ADRB3ADRB2CYP1A2
SCHEMBL9684239 0.83 MEN1 (0.48) ATMADRB1ADRB3ADRB2CYP1A2
SCHEMBL9685479 0.82 ADRB1 (0.50) ATMADRB1ADRB3ADRB2CYP1A2
SCHEMBL9685473 0.82 ADRB1 (0.50) ATMADRB1ADRB3ADRB2CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed
US-4871755-A Method for treating diabetes obesity and conditions characterized by increased protein breakdown with novel oxazolidines HOFFMANN-LA ROCHE INC. (US) 1989-10-03 US disclosed
US-4743604-A ANTIBESITY, ANTIDIABETIC, FEEDS HOFFMANN-LA ROCHE INC. (US) 1988-05-10 US disclosed