SCHEMBL4696737

SCHEMBL4696737

O=C(O)N1CCCCCC1NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
FKBP1A P62942 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 1/20 0.46
DPP4 P27487 2/20 0.45
TAAR1 Q96RJ0 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
EPHX2 P34913 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8028464 0.82 STS (0.49) HTTFKBP1AALDH1A1HSD17B10
SCHEMBL8843247 0.81 HTT (0.44) HTTFKBP1AHRH3ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL8843229 0.81 HTT (0.47) HTTFKBP1AHRH3NPC1RAB9A
SCHEMBL2552964 0.80 EPHX1 (0.55) FKBP1AEPHX1ALDH1A1DPP4GAA
SCHEMBL22469702 0.80 HTT (0.54) HTTFKBP1AHRH3NPC1RAB9A
SCHEMBL4443457 0.79 EPHX1 (0.53) FKBP1AEPHX1ALDH1A1DPP4GAA
SCHEMBL31207275 0.79 HRH3 (0.54) HRH3HPGDNPC1RAB9AALDH1A1
SCHEMBL3745591 0.76 RAB9A (0.49) HPGDNPC1RAB9AEPHX1ALDH1A1
SCHEMBL8781552 0.76 HTT (0.49) HTTNPC1RAB9ANPSR1GAA
SCHEMBL3352196 0.75 ALDH1A1 (0.46) HTTFKBP1AHRH3HPGDALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO disclosed