SCHEMBL8305984

SCHEMBL8305984

O=C(c1cccc(CNCCNc2ccccc2NCc2ccccc2)c1)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
TP53BP1 Q12888 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
HPGD P15428 3/20 0.47
OPRM1 P35372 1/20 0.46
PPM1D O15297 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PDCD1 Q15116 2/20 0.45
CD274 Q9NZQ7 2/20 0.45
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1471485 0.90 NAMPT (0.48) RAB9APKMHPGDOPRM1SMN1; SMN2
SCHEMBL1470949 0.89 RAB9A (0.47) RAB9APKMHPGDSMN1; SMN2NPC1
SCHEMBL1471470 0.89 HPGD (0.48) RAB9APKMHPGDSMN1; SMN2NPC1
SCHEMBL1470886 0.89 RAB9A (0.45) RAB9APKMHPGDSMN1; SMN2NPC1
SCHEMBL1471258 0.88 RAB9A (0.47) RAB9APKML3MBTL1HPGDSMN1; SMN2
SCHEMBL1470779 0.88 RAB9A (0.47) RAB9APKMHPGDSMN1; SMN2NPC1
SCHEMBL1471433 0.88 HPGD (0.47) RAB9APKMHPGDSMN1; SMN2NPC1
SCHEMBL14382950 0.88 HPGD (0.49) RAB9APKML3MBTL1HPGDSMN1; SMN2
SCHEMBL1473205 0.88 RAB9A (0.53) RAB9APKML3MBTL1HPGDSMN1; SMN2
SCHEMBL1471333 0.88 RAB9A (0.49) RAB9APKMHPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed