SCHEMBL8529476

SCHEMBL8529476

O=Cc1cc(-n2nnnc2-c2ccccc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
PTGS2 P35354 5/20 0.53
LMNA P02545 4/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
MAPK10 P53779 1/20 0.47
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ERN1 O75460 3/20 0.44
MAPT P10636 3/20 0.42
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MITF O75030 1/20 0.40
HTT P42858 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
SCHEMBL8530972 0.81 TSHR (0.52) TSHRPTGS2LMNAHSD17B10SMN1; SMN2
SCHEMBL3814197 0.81 LMNA (0.47) LMNASMN1; SMN2ERN1
SCHEMBL8532995 0.76 NPC1 (0.42) PTGS2LMNAALDH1A1L3MBTL1ERN1
SCHEMBL8534360 0.75 LMNA (0.71) TSHRPTGS2LMNAHSD17B10SMN1; SMN2
SCHEMBL311546 0.75 ERN1 (0.38) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8533644 0.75 SMN1; SMN2 (0.57) TSHRLMNASMN1; SMN2PKMALDH1A1
SCHEMBL8529998 0.74 ESR2 (0.40) SMN1; SMN2ERN1MAPT
SCHEMBL890039 0.73 LMNA (0.77) TSHRPTGS2LMNAHSD17B10SMN1; SMN2
SCHEMBL8533186 0.73 ALDH1A1 (0.40) PTGS2LMNAALDH1A1L3MBTL1ERN1
Hydrochloric Acid SCHEMBL7981337 0.71 LMNA (0.74) TSHRPTGS2LMNAHSD17B10SMN1; SMN2

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