SCHEMBL9685400

SCHEMBL9685400

CCCCNC(=O)c1ccc(CCCNCC(O)COc2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.47
ADRB3 P13945 7/20 0.47
ADRB2 P07550 3/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
TOP2A P11388 1/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL9685147 0.86 ACKR3 (0.46) CYP2D6CYP1A2MEN1KMT2ANPC1
SCHEMBL9685156 0.86 ACKR3 (0.46) CYP2D6CYP1A2MEN1KMT2ANPC1
SCHEMBL9684877 0.85 ADRB1 (0.51) ADRB1ADRB3ADRB2CYP3A4CYP2D6
SCHEMBL9684869 0.85 ADRB1 (0.51) ADRB1ADRB3ADRB2CYP3A4CYP2D6
SCHEMBL9685296 0.85 ATM (0.45) ADRB1ADRB3ADRB2ATMCYP1A2
SCHEMBL9685304 0.85 ATM (0.45) ADRB1ADRB3ADRB2ATMCYP1A2
SCHEMBL9685473 0.84 ADRB1 (0.50) ADRB1ADRB3ADRB2ATMCYP1A2
SCHEMBL9685479 0.84 ADRB1 (0.50) ADRB1ADRB3ADRB2ATMCYP1A2
SCHEMBL9684239 0.78 MEN1 (0.48) ADRB1ADRB3ADRB2ATMCYP1A2
SCHEMBL9684236 0.78 MEN1 (0.48) ADRB1ADRB3ADRB2ATMCYP1A2

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 2 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