SCHEMBL3456014

SCHEMBL3456014

Cc1cc2nc(-c3[nH]nc4c3CCN(CCCc3ccccc3)C4)[nH]c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.41
SIGMAR1 Q99720 3/20 0.40
PARP1 P09874 1/20 0.40
GRM2 Q14416 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3457560 0.94 DRD2 (0.41) GRIN2BGRM2KMT2AHTR1ADRD2
SCHEMBL3455866 0.89 DRD2 (0.44) PARP1MEN1KMT2ADRD2DRD3
SCHEMBL3460034 0.86 ALDH1A1 (0.37) GRIN2BMEN1KMT2AHTR1A
SCHEMBL3455936 0.84 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL3455100 0.82 BRD4 (0.38) MEN1KMT2A
SCHEMBL3461019 0.82 GRIA1 (0.39) MEN1KMT2A
SCHEMBL14032049 0.81 GPBAR1 (0.42) KMT2A
SCHEMBL3456801 0.81 KIT (0.41) GRM2DRD2
SCHEMBL3455104 0.81 MEN1 (0.47) SIGMAR1MEN1KMT2ADRD2DRD3
SCHEMBL3462996 0.80 ALDH1A1 (0.36) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed