SCHEMBL7015447

SCHEMBL7015447

CCCCCOC(=O)Nc1c[c]ccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.54
HPGD P15428 6/20 0.54
LMNA P02545 3/20 0.54
EPHX2 P34913 1/20 0.53
NPC1 O15118 9/20 0.51
SMN1; SMN2 Q16637 9/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2C9 P11712 2/20 0.51
MAPT P10636 5/20 0.50
MAPK1 P28482 2/20 0.50
CASP1 P29466 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MCL1 Q07820 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL4800127 0.96 RAB9A (0.59) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL2533532 0.90 HPGD (0.57) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL1419617 0.84 MAPK1 (0.54) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL8600999 0.82 RAB9A (0.67) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL8076542 0.81 RAB9A (0.65) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL7995030 0.81 RAB9A (0.65) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL1837292 0.81 RAB9A (0.65) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL10599124 0.81 RAB9A (0.65) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL8600460 0.81 RAB9A (0.65) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL1834100 0.81 RAB9A (0.65) RAB9AHPGDLMNAEPHX2NPC1

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-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed