SCHEMBL6649751

SCHEMBL6649751

c1cc(NCCCN2CCOCC2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
GAA P10253 5/20 0.53
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 2/20 0.53
RAD52 P43351 2/20 0.53
GLA P06280 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CRHBP P24387 1/20 0.47

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
SCHEMBL6671580 0.90 CYP3A4 (0.56) CYP2C19CYP3A4CYP2D6KDM4ENPC1
SCHEMBL6649060 0.85 HRH3 (0.51) CYP2C19CYP3A4CYP2D6L3MBTL1TDP1
SCHEMBL6651015 0.84 CYP3A4 (0.53) CYP2C19CYP3A4CYP2D6L3MBTL1TDP1
SCHEMBL1292252 0.84 KMT2A (0.63) CYP2C19GAAKDM4ENPC1RAB9A
SCHEMBL8243016 0.83 LMNA (0.58) CYP2C19CYP3A4CYP2D6GAAKDM4E
SCHEMBL19623580 0.81 RAD52 (0.53) CYP2C19CYP3A4CYP2D6GAAKDM4E
SCHEMBL1955959 0.81 NPC1 (0.51) CYP2C19CYP3A4CYP2D6GAAKDM4E
SCHEMBL996593 0.81 RAB9A (0.50) CYP2C19CYP3A4CYP2D6GAAKDM4E
SCHEMBL3234489 0.81 NPC1 (0.51) CYP2C19CYP3A4CYP2D6GAAKDM4E
SCHEMBL8300077 0.81 CYP3A4 (0.56) CYP2C19CYP3A4CYP2D6GAAKDM4E

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
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO disclosed