SCHEMBL7847689

SCHEMBL7847689

CNC1CCN(c2ccc(CN3CCOCC3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL3 Q96JM7 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
ENPP2 Q13822 2/20 0.45
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KCNJ1 P48048 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
SCHEMBL4931617 0.83 SMN1; SMN2 (0.58) HRH3SMN1; SMN2L3MBTL3L3MBTL1KDM4E
SCHEMBL8084041 0.82 HRH3 (0.53) HRH3SMN1; SMN2KDM4EKMT2ANPC1
SCHEMBL4938412 0.79 L3MBTL3 (0.73) HRH3L3MBTL3L3MBTL1
SCHEMBL4938482 0.79 NPC1 (0.51) HRH3SMN1; SMN2L3MBTL3L3MBTL1KDM4E
SCHEMBL4935057 0.78 HRH3 (0.54) HRH3SMN1; SMN2L3MBTL3L3MBTL1KDM4E
SCHEMBL1647718 0.77 HRH3 (0.61) HRH3SMN1; SMN2L3MBTL1KDM4EKMT2A
SCHEMBL8726110 0.77 USP28 (0.40) HRH3SMN1; SMN2L3MBTL3L3MBTL1NPC1
SCHEMBL15372617 0.77 TPSAB1 (0.44) HRH3SMN1; SMN2L3MBTL3L3MBTL1KDM4E
SCHEMBL23507625 0.77 L3MBTL3 (0.50) HRH3L3MBTL3L3MBTL1
SCHEMBL4939081 0.77 HRH3 (0.53) HRH3SMN1; SMN2L3MBTL3L3MBTL1KDM4E

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-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed