SCHEMBL9684236

SCHEMBL9684236

CCCCN(CCCC)Cc1ccc(CCCNCC(O)COc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.44
ADRB1 P08588 4/20 0.43
ADRB3 P13945 4/20 0.43
ADRB2 P07550 2/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
ABCB1 P08183 2/20 0.41
TOP2A P11388 1/20 0.41

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
SCHEMBL9684239 1.00 MEN1 (0.48) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL9787231 0.86 MAPK1 (0.52) MEN1KMT2ALMNAKDM4EMAPK1
SCHEMBL9787234 0.86 MAPK1 (0.52) MEN1KMT2ALMNAKDM4EMAPK1
SCHEMBL9685296 0.83 ATM (0.45) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL9685304 0.83 ATM (0.45) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL9684273 0.81 KDM4E (0.46) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL9684278 0.81 KDM4E (0.46) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL9685400 0.78 ADRB1 (0.47) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL9684877 0.76 ADRB1 (0.51) MEN1OPRM1OPRD1KMT2ALMNA
SCHEMBL9684869 0.76 ADRB1 (0.51) MEN1OPRM1OPRD1KMT2ALMNA

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 6 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
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP disclosed
US-4743604-A ANTIBESITY, ANTIDIABETIC, FEEDS HOFFMANN-LA ROCHE INC. (US) 1988-05-10 US disclosed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed