SCHEMBL7959643

SCHEMBL7959643

[CH2]C(=O)Nc1ccccc1OCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
LMNA P02545 4/20 0.62
MAPT P10636 3/20 0.62
GAA P10253 2/20 0.62
ALDH1A1 P00352 2/20 0.62
PKM P14618 1/20 0.62
HTT P42858 1/20 0.62
NLRP1 Q9C000 1/20 0.62
KMT2A Q03164 3/20 0.56
TSHR P16473 2/20 0.52
POLB P06746 2/20 0.52
MRGPRX1 Q96LB2 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL7956543 0.92 KMT2A (0.66) NPC1RAB9ALMNAMAPTGAA
SCHEMBL7955073 0.91 KMT2A (0.60) NPC1RAB9ALMNAMAPTGAA
SCHEMBL11482522 0.89 KMT2A (0.59) NPC1RAB9ALMNAMAPTGAA
SCHEMBL7952996 0.89 KMT2A (0.59) NPC1RAB9ALMNAMAPTGAA
SCHEMBL7956472 0.87 GAA (0.71) NPC1RAB9ALMNAGAAALDH1A1
SCHEMBL18415529 0.87 NPC1 (0.68) NPC1RAB9ALMNAMAPTGAA
SCHEMBL7959649 0.85 RAB9A (0.67) NPC1RAB9ALMNAMAPTGAA
SCHEMBL10748359 0.85 MAPT (0.72) NPC1RAB9ALMNAMAPTGAA
SCHEMBL5189031 0.84 NPC1 (0.65) NPC1RAB9ALMNAMAPTGAA
SCHEMBL10457597 0.84 NPC1 (0.65) NPC1RAB9ALMNAMAPTGAA

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
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
CN-1262685-A Naphthyridine derivatives OTSUKA PHARMA CO LTD (JP) 2000-08-09 CN disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed