SCHEMBL8534644

SCHEMBL8534644

COc1ccc(Cn2ncnn2)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ERN1 O75460 4/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL8534329 0.76 KMT2A (0.62) TUBB1HTR1AHTR2CALDH1A1KDM4E
SCHEMBL5193938 0.75 ALDH1A1 (0.42) TUBB1LMNAALDH1A1KDM4ETSHR
SCHEMBL15542865 0.72 ALDH1A1 (0.47) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL29951235 0.72 ALDH1A1 (0.52) TUBB1LMNAALDH1A1KDM4ETSHR
SCHEMBL9681414 0.72 ALDH1A1 (0.52) TUBB1LMNAALDH1A1KDM4ETSHR
SCHEMBL1080351 0.70 ALDH1A1 (0.50) TUBB1LMNAALDH1A1KDM4ETSHR
SCHEMBL12445230 0.70 ERN1 (0.57) TUBB1LMNAALDH1A1KDM4ETSHR
SCHEMBL8533780 0.70 ALDH1A1 (0.50) TUBB1LMNAALDH1A1KDM4ETSHR
SCHEMBL18400533 0.70 ALDH1A1 (0.50) TUBB1LMNAALDH1A1KDM4ETSHR
SCHEMBL10226030 0.70 ALDH1A1 (0.50) TUBB1LMNAALDH1A1KDM4ETSHR

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