SCHEMBL8533114

SCHEMBL8533114

Oc1ccc(-n2nnnc2C2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
MAPT P10636 5/20 0.43
MIF P14174 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
DPP4 P27487 1/20 0.36
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL20752065 0.83 TP53 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL20816379 0.75 HTT (0.57) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL8530493 0.74 PKM (0.50) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL14192707 0.74 ALDH1A1 (0.50) ALDH1A1LMNAGAAGFERMAPT
SCHEMBL2856586 0.73 TP53 (0.44) ALDH1A1MAPTTP53
SCHEMBL2859000 0.72 HTT (0.44) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL15786433 0.72 KCNH2 (0.50) MAPTSMN1; SMN2TP53
SCHEMBL13135670 0.72 TP53 (0.51) MAPTSMN1; SMN2TP53
SCHEMBL13135669 0.71 ALDH1A1 (0.51) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL8957639 0.71 ALDH1A1 (0.47) ALDH1A1LMNAGAAGFERMAPT

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