SCHEMBL8530493

SCHEMBL8530493

c1ccc(COc2ccc(-n3nnnc3C3CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
HTT P42858 2/20 0.50
NLRP3 Q96P20 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 4/20 0.49
KMT2A Q03164 1/20 0.49
FDFT1 P37268 2/20 0.44
IGF1R P08069 1/20 0.43
MCHR1 Q99705 1/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL14192708 0.79 PKM (0.55) PKMHTTNLRP3ALDH1A1LMNA
SCHEMBL3817329 0.75 PKM (0.51) PKMHTTNLRP3ALDH1A1LMNA
SCHEMBL20816379 0.73 HTT (0.57) PKMHTTALDH1A1LMNAKMT2A
SCHEMBL20752065 0.71 TP53 (0.48) ALDH1A1LMNAMAPTPTGS2SMN1; SMN2
SCHEMBL10272647 0.71 MRGPRX4 (0.64) LMNAFDFT1MAPTRAB9ANPC1
SCHEMBL2859000 0.71 HTT (0.44) HTTALDH1A1LMNAKMT2AMAPT
SCHEMBL13135669 0.70 ALDH1A1 (0.51) HTTALDH1A1LMNAKMT2AMAPT
SCHEMBL6125242 0.68 MAPT (0.64) HTTALDH1A1LMNAMAPTRAB9A
SCHEMBL339813 0.68 LMNA (0.82) LMNAMAPTRAB9ACYP1A2PTGS1
SCHEMBL27367676 0.68 LMNA (0.82) LMNAMAPTRAB9ACYP1A2PTGS1

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