SCHEMBL8546108

SCHEMBL8546108

COc1ccc(-n2nnnc2CC(N)=O)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 3/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL4205207 0.87 TACR1 (0.44) TSHRLMNAALDH1A1GAAATM
SCHEMBL8533478 0.85 LMNA (0.42) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL8531571 0.83 TACR1 (0.45) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL4205532 0.79 ATM (0.45) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL8531579 0.78 ALDH1A1 (0.51) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL8546062 0.77 TACR1 (0.48) TSHRLMNAALDH1A1GAAHPGD
SCHEMBL8531284 0.76 ALDH1A1 (0.59) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL8531896 0.76 MAPT (0.49) TSHRSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL8529656 0.75 TACR1 (0.46) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL310305 0.75 TACR1 (0.44) ALDH1A1MAPTHPGDATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP 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