SCHEMBL8529656

SCHEMBL8529656

CCN(CC)c1nnnn1-c1ccc(OC)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.46
ALDH1A1 P00352 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.41
TSHR P16473 3/20 0.37
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
FGFR1 P11362 1/20 0.36
MAPK1 P28482 2/20 0.35
TUBB1 Q9H4B7 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
S1PR4 O95977 1/20 0.35
TP53 P04637 1/20 0.35
S1PR1 P21453 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 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
SCHEMBL8531896 0.86 MAPT (0.49) ALDH1A1L3MBTL1ATMTSHRLMNA
SCHEMBL4205207 0.83 TACR1 (0.44) TACR1ALDH1A1ATMTSHRLMNA
SCHEMBL4205532 0.80 ATM (0.45) TACR1ALDH1A1ATMTSHRLMNA
SCHEMBL8531571 0.80 TACR1 (0.45) TACR1ALDH1A1L3MBTL1ATMTSHR
SCHEMBL8531579 0.77 ALDH1A1 (0.51) TACR1ALDH1A1ATMTSHRLMNA
SCHEMBL8531284 0.77 ALDH1A1 (0.59) TACR1ALDH1A1ATMTSHRLMNA
SCHEMBL310305 0.76 TACR1 (0.44) TACR1ALDH1A1ATMHPGDMAPT
SCHEMBL8546108 0.75 TSHR (0.45) ALDH1A1ATMTSHRLMNAHPGD
SCHEMBL8530972 0.75 TSHR (0.52) TACR1ALDH1A1L3MBTL1ATMTSHR
SCHEMBL8531078 0.75 SMN1; SMN2 (0.48) TACR1ALDH1A1ATMTSHRHPGD

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