SCHEMBL7323294

SCHEMBL7323294

O=c1cc(-c2ccccc2)c2c([nH]1)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
ALOX15 P16050 3/20 0.62
MAPK1 P28482 2/20 0.62
HSD17B10 Q99714 2/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
PARP1 P09874 1/20 0.50
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 3/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD11B1 P28845 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
MAPK10 P53779 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
SCHEMBL7328468 0.85 MAPT (0.54) ALDH1A1ALOX15MAPK1HSD17B10POLB
SCHEMBL28800723 0.83 MAPT (0.52) ALDH1A1ALOX15MAPK1HSD17B10POLB
SCHEMBL15572127 0.80 POLB (0.49) ALDH1A1ALOX15MAPK1HSD17B10POLB
SCHEMBL9803050 0.78 L3MBTL1 (0.48) ALDH1A1ALOX15MAPK1HSD17B10POLB
SCHEMBL15572722 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15MAPK1HSD17B10POLB
SCHEMBL29750830 0.74 LMNA (0.43) ALDH1A1ALOX15MAPK1HSD17B10POLB
SCHEMBL22570509 0.73 ALDH1A1 (0.47) ALDH1A1ALOX15MAPK1HSD17B10POLB
SCHEMBL8127178 0.72 ALDH1A1 (0.46) ALDH1A1ALOX15MAPK1HSD17B10POLB
SCHEMBL21186930 0.72 ALDH1A1 (0.46) ALDH1A1ALOX15MAPK1HSD17B10POLB
SCHEMBL26106785 0.71 HSD17B10 (0.53) ALDH1A1ALOX15MAPK1HSD17B10POLB

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-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
US-5021421-A Psychotropic agents DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-06-04 US disclosed