SCHEMBL7328468

SCHEMBL7328468

O=c1cc(-c2ccc(F)cc2)c2c([nH]1)CCCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 3/20 0.54
ALOX15 P16050 2/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PARP1 P09874 1/20 0.42
GRM2 Q14416 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 3/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL28800723 0.98 MAPT (0.52) MAPTALDH1A1POLBALOX15MAPK1
SCHEMBL7323294 0.85 ALDH1A1 (0.62) MAPTALDH1A1POLBALOX15MAPK1
SCHEMBL15572127 0.82 POLB (0.49) MAPTALDH1A1POLBALOX15MAPK1
SCHEMBL15572722 0.74 ALDH1A1 (0.50) MAPTALDH1A1POLBALOX15MAPK1
SCHEMBL9558654 0.72 HTR2A (0.42) MAPTALDH1A1POLBMAPK1L3MBTL1
SCHEMBL22570509 0.70 ALDH1A1 (0.47) MAPTALDH1A1POLBALOX15MAPK1
SCHEMBL9558886 0.69 HTR2A (0.42) MAPTALDH1A1POLBMAPK1L3MBTL1
SCHEMBL8127178 0.68 ALDH1A1 (0.46) MAPTALDH1A1POLBALOX15MAPK1
SCHEMBL21186930 0.68 ALDH1A1 (0.46) MAPTALDH1A1POLBALOX15MAPK1
SCHEMBL6989278 0.67 PTGS1 (0.52) MAPTALDH1A1SMN1; SMN2LMNA

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
EP-0385237-B1 2-(1-piperazinyl)-4-phenylcycloalkanopyridine derivatives, processes for the production thereof, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO (JP) 1994-06-29 EP disclosed