SCHEMBL8529894

SCHEMBL8529894

O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.70
NPC1 O15118 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
LTA4H P09960 2/20 0.63
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.59
GAA P10253 1/20 0.59
GFER P55789 1/20 0.59
CASP3 P42574 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTPN1 P18031 1/20 0.58
PTPN6 P29350 1/20 0.58
PTPN11 Q06124 1/20 0.58
SENP8 Q96LD8 1/20 0.58

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
SCHEMBL6336577 0.82 RAB9A (0.84) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL6335888 0.82 RAB9A (0.80) RAB9ANPC1SMN1; SMN2LTA4HDHODH
SCHEMBL6336575 0.82 RAB9A (0.84) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL6335880 0.82 RAB9A (0.80) RAB9ANPC1SMN1; SMN2LTA4HDHODH
SCHEMBL6335883 0.82 RAB9A (0.80) RAB9ANPC1SMN1; SMN2LTA4HDHODH
SCHEMBL6336581 0.82 RAB9A (0.84) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL4666205 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1
SCHEMBL8291268 0.81 POLB (0.70) ALDH1A1KMT2AMAPTGAALMNA
Hydrochloric Acid SCHEMBL6241293 0.81 F2 (0.53) RAB9AMEN1KMT2A
SCHEMBL21295527 0.80 MEN1 (0.77) RAB9ANPC1SMN1; SMN2LTA4HALDH1A1

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