SCHEMBL13295147

SCHEMBL13295147

c1ccc(-c2ccnc(C3CCNCC3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.48
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
PIM1 P11309 1/20 0.46
AURKA O14965 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PRKACA P17612 1/20 0.45
ADORA2A P29274 1/20 0.45
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IKBKB O14920 1/20 0.44
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
GABRA1 P14867 3/20 0.40
GABRB2 P47870 3/20 0.40
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL28135252 0.89 ADORA2A (0.52) AURKAHSP90AA1PRKACAADORA2AMEN1
SCHEMBL28131710 0.88 TNK2 (0.49) CCNT1CDK9PIM1MEN1KMT2A
SCHEMBL13294782 0.85 MKNK1 (0.56) PIM1PRKACAMEN1KMT2AIKBKB
SCHEMBL7171237 0.84 POLB (0.50) AURKAHSP90AA1PRKACAADORA2AMEN1
SCHEMBL13294778 0.83 CHRNA7 (0.49) CDK9PIM1MEN1KMT2AMKNK1
SCHEMBL13294777 0.81 PIM1 (0.43) PIM1MEN1KMT2AIKBKBMKNK1
SCHEMBL13295160 0.80 GABRA1 (0.43) HPGDSPIM1MEN1KMT2AIKBKB
SCHEMBL13959343 0.77 MAPK13 (0.50) PIM1MEN1KMT2AHTR2C
SCHEMBL9130502 0.76 RAB9A (0.44) AURKAHSP90AA1PRKACAADORA2AMEN1
SCHEMBL13490451 0.76 MEN1 (0.55) HPGDSCCNT1CDK9PIM1SLC18A3

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-2010064597-A1 PIPERIDINE DERIVATIVE 武田薬品工業株式会社 (JP) 2010-06-10 WO disclosed