SCHEMBL9986296

SCHEMBL9986296

CC(=O)O[C@H]1CN(C(=O)O)CC[C@@H]1Nc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
FAAH O00519 2/20 0.37
ACHE P22303 2/20 0.37
ALDH1A1 P00352 6/20 0.36
HTT P42858 4/20 0.36
BCHE P06276 1/20 0.36
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPR174 Q9BXC1 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL9986298 1.00 MAPT (0.38) MAPTFAAHACHEALDH1A1HTT
SCHEMBL9986502 0.88 GPR119 (0.41) MAPTALDH1A1HTTMAPK1L3MBTL1
SCHEMBL9986499 0.88 GPR119 (0.41) MAPTALDH1A1HTTMAPK1L3MBTL1
SCHEMBL9986511 0.74 GPR119 (0.43) MAPTALDH1A1HTTMAPK1L3MBTL1
SCHEMBL9986508 0.74 GPR119 (0.43) MAPTALDH1A1HTTMAPK1L3MBTL1
SCHEMBL11909680 0.74 FAAH (0.44) MAPTFAAHACHEALDH1A1HTT
SCHEMBL11909682 0.74 FAAH (0.44) MAPTFAAHACHEALDH1A1HTT
SCHEMBL4749628 0.74 GRK6 (0.42) MAPTALDH1A1HTTMAPK1DCTPP1
SCHEMBL4749634 0.74 GRK6 (0.42) MAPTALDH1A1HTTMAPK1DCTPP1
SCHEMBL9986228 0.72 HDAC2 (0.53) MAPTALDH1A1HTTMAPK1L3MBTL1

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-2582681-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 EP disclosed
WO-2011157793-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 WO disclosed