SCHEMBL8529992

SCHEMBL8529992

CCc1nnnn1-c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 2/20 0.48
PKM P14618 2/20 0.45
NLRP3 Q96P20 1/20 0.45
GAA P10253 2/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
PTGS2 P35354 2/20 0.43
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL8530581 0.86 ALDH1A1 (0.53) ALDH1A1LMNANPSR1L3MBTL1HTT
SCHEMBL12843990 0.84 ALDH1A1 (0.72) ALDH1A1LMNANPSR1L3MBTL1HTT
SCHEMBL24185685 0.82 ALDH1A1 (0.55) ALDH1A1LMNANPSR1L3MBTL1HTT
SCHEMBL14438050 0.82 ALDH1A1 (0.57) ALDH1A1LMNANPSR1L3MBTL1GAA
SCHEMBL156901 0.81 HTT (0.60) ALDH1A1LMNANPSR1L3MBTL1HTT
SCHEMBL4209751 0.79 ALDH1A1 (0.62) ALDH1A1LMNANPSR1L3MBTL1HTT
SCHEMBL24240347 0.79 ALDH1A1 (0.49) ALDH1A1LMNANPSR1L3MBTL1HTT
SCHEMBL4211669 0.78 MAPT (0.56) ALDH1A1LMNANPSR1L3MBTL1HTT
SCHEMBL10673993 0.77 HSD11B1 (0.46) ALDH1A1LMNANPSR1L3MBTL1HTT
SCHEMBL4200649 0.76 PRMT1 (0.63) ALDH1A1LMNANPSR1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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