SCHEMBL2658558

SCHEMBL2658558

O=C(O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ENPP2 Q13822 6/20 0.53
KDM4E B2RXH2 1/20 0.52
HTR7 P34969 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL2658565 1.00 POLB (0.56) POLBDRD2DRD4DRD3LMNA
SCHEMBL2658444 0.88 POLB (0.52) POLBDRD2DRD4DRD3LMNA
SCHEMBL16824855 0.83 POLB (0.73) POLBLMNAMAPTALDH1A1MEN1
SCHEMBL2662545 0.83 KDM4E (0.50) POLBDRD2DRD4DRD3LMNA
SCHEMBL2662051 0.83 MGLL (0.58) POLBLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL2627249 0.82 MAPT (0.69) LMNAMAPTALDH1A1HPGDMEN1
SCHEMBL8440523 0.82 MAPT (0.56) POLBDRD2DRD4DRD3LMNA
SCHEMBL2661913 0.82 POLB (0.50) POLBDRD2DRD4DRD3LMNA
SCHEMBL520396 0.82 HTR7 (0.56) DRD2DRD4DRD3LMNAMAPT
SCHEMBL2661929 0.82 SMN1; SMN2 (0.57) POLBDRD2DRD3LMNASMN1; SMN2

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-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 WO disclosed