SCHEMBL8529578

SCHEMBL8529578

O=[N+]([O-])c1cccnc1-c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
PDE4D Q08499 3/20 0.47
POLB P06746 2/20 0.46
FBP1 P09467 1/20 0.44
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
TDO2 P48775 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
IDO1 P14902 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL1738384 0.83 MAPT (0.52) PDE10APOLBNCOA1NCOA3MAPT
SCHEMBL8529531 0.82 ALDH1A1 (0.46) PDE10APDE4DPOLBNCOA1NCOA3
SCHEMBL14053276 0.82 HSP90AA1 (0.49) PDE10APDE4DPOLBNCOA1NCOA3
SCHEMBL7230237 0.82 MAP4K4 (0.47) PDE10APDE4DPOLBNCOA1NCOA3
SCHEMBL8531747 0.81 MEN1 (0.47) PDE10APDE4DPOLBMAPTTDP1
SCHEMBL6235889 0.81 MAPT (0.50) PDE10APDE4DPOLBMAPTMAPK1
SCHEMBL444703 0.80 ALDH1A1 (0.53) PDE10APDE4DPOLBNCOA1NCOA3
SCHEMBL14053548 0.80 MEN1 (0.43) PDE10APDE4DPOLBNCOA1NCOA3
SCHEMBL16097359 0.79 ERN1 (0.51) PDE10APDE4DMAPTMAPK1TRPV1
SCHEMBL16119989 0.78 ALDH1A1 (0.51) PDE10APDE4DPOLBTRPV1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024199444-A1 HETEROAROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翊维康医药有限责任公司 2024-10-03 WO disclosed
CN-1061041-C Piperidine derivatives GLAXO GROUP LTD (GB) 2001-01-24 CN disclosed
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed
CN-1135218-A Piperidine derivatives GLAXO GROUP LTD (GB) 1996-11-06 CN disclosed
EP-0720609-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008549-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1995-03-30 WO disclosed