SCHEMBL2935244

SCHEMBL2935244

CC(=O)N1CCOC(CN2CCN(c3ccccc3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
USP2 O75604 1/20 0.45
HTR1A P08908 3/20 0.44
HTR7 P34969 2/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 2/20 0.44
DRD4 P21917 1/20 0.44
CHRNA7 P36544 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
ADRA1D P25100 1/20 0.41

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
SCHEMBL1183398 0.81 KMT2A (0.46) AKR1C3CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL19049057 0.80 SMN1; SMN2 (0.50) GAAALOX15
SCHEMBL19049073 0.77 CYP2C9 (0.45) CYP2C9CYP2C19ALDH1A1DRD4TMEM97
SCHEMBL25274049 0.75 PPIB (0.57) CYP2C9CYP2C19ALDH1A1KMT2AMAPK1
SCHEMBL25274050 0.75 PPIB (0.57) CYP2C9CYP2C19ALDH1A1KMT2AMAPK1
SCHEMBL29396441 0.75 PPIB (0.57) CYP2C9CYP2C19ALDH1A1KMT2AMAPK1
SCHEMBL3356592 0.74 DRD4 (0.55) HTR1ADRD2DRD3DRD4CHRNA7
SCHEMBL11679967 0.73 MTNR1A (0.41) CYP2C9CYP2C19
SCHEMBL11680271 0.73 NOTUM (0.43) MEN1KMT2A
SCHEMBL9015945 0.72 LMNA (0.50) HTR1AHTR7DRD2DRD3DRD4

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-2229362-A1 PIPERAZINES AS ANTI-OBESITY AGENTS AstraZeneca AB (SE) 2010-09-22 EP claimed
WO-2009071658-A1 PIPERAZINES AS ANTI-OBESITY AGENTS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO claimed