SCHEMBL8532995

SCHEMBL8532995

CCc1nnnn1-c1ccc(O)c(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
ERN1 O75460 7/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 2/20 0.39
TP53 P04637 1/20 0.39
CDK1 P06493 1/20 0.38

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
SCHEMBL8533186 0.91 ALDH1A1 (0.40) ERN1ALDH1A1LMNANPSR1L3MBTL1
SCHEMBL3814197 0.83 LMNA (0.47) ERN1LMNACDK1
SCHEMBL4205207 0.81 TACR1 (0.44) NPC1ALDH1A1LMNA
SCHEMBL8533644 0.80 SMN1; SMN2 (0.57) ERN1ALDH1A1LMNAL3MBTL1TP53
SCHEMBL311546 0.77 ERN1 (0.38) ERN1ALDH1A1LMNACDK1
SCHEMBL8529998 0.76 ESR2 (0.40) ERN1TP53
SCHEMBL8529476 0.76 TSHR (0.56) ERN1ALDH1A1LMNANPSR1L3MBTL1
SCHEMBL8529992 0.76 ALDH1A1 (0.51) NPC1ALDH1A1LMNANPSR1L3MBTL1
SCHEMBL8531571 0.73 TACR1 (0.45) ALDH1A1LMNANPSR1L3MBTL1TP53
SCHEMBL13637918 0.72 LMNA (0.45) ALDH1A1LMNANPSR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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