SCHEMBL7955082

SCHEMBL7955082

[CH2]CCCCCNC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
SMPD1 P17405 1/20 0.57
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 1/20 0.56
NR1H4 Q96RI1 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC2 Q92769 1/20 0.54
ROCK2 O75116 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.53

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
SCHEMBL7952907 0.99 POLB (0.71) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL7945931 0.94 POLB (0.69) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL11761148 0.93 POLB (0.84) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL7955009 0.88 RAB9A (0.66) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL3880413 0.87 POLB (0.76) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL28907470 0.87 POLB (0.76) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL11240645 0.87 POLB (0.76) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL11246226 0.87 POLB (0.76) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL21523581 0.87 POLB (0.76) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL931440 0.86 POLB (0.73) POLBNPC1RAB9ACYP2D6CYP2C9

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