SCHEMBL8533478

SCHEMBL8533478

COc1ccc(-n2nnnc2CC(=O)C(F)(F)F)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 4/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8546108 0.85 TSHR (0.45) LMNAGAATSHRATMALDH1A1
SCHEMBL4205207 0.84 TACR1 (0.44) LMNAGAATSHRATMALDH1A1
SCHEMBL8531571 0.81 TACR1 (0.45) LMNAGAATSHRATMALDH1A1
SCHEMBL310305 0.79 TACR1 (0.44) ATMALDH1A1MAPTHPGD
SCHEMBL4205532 0.76 ATM (0.45) LMNAGAATSHRATMALDH1A1
SCHEMBL8546062 0.74 TACR1 (0.48) LMNAGAATSHRATMALDH1A1
SCHEMBL8530972 0.74 TSHR (0.52) LMNATSHRATMALDH1A1SMN1; SMN2
SCHEMBL8531579 0.73 ALDH1A1 (0.51) LMNAGAATSHRATMALDH1A1
SCHEMBL8531284 0.73 ALDH1A1 (0.59) LMNATSHRATMALDH1A1SMN1; SMN2
SCHEMBL8531896 0.73 MAPT (0.49) LMNAGAATSHRATMALDH1A1

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