SCHEMBL8394580

SCHEMBL8394580

CCCCNC(=O)C1([NH])CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.46
EPHX1 P07099 8/20 0.41
NAAA Q02083 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.39
MMP2 P08253 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL8396618 0.93 SPHK1 (0.55) SPHK1EPHX1NAAAEPHX2
SCHEMBL8395145 0.93 SPHK1 (0.55) SPHK1EPHX1NAAAEPHX2
SCHEMBL8395995 0.93 SPHK1 (0.55) SPHK1EPHX1NAAAEPHX2
SCHEMBL24654085 0.78 ACHE (0.46) SPHK1EPHX1ACHE
SCHEMBL11395604 0.77 CETP (0.47) SPHK1EPHX1NAAAACHEMMP2
SCHEMBL29306660 0.75 SPHK1 (0.50) SPHK1EPHX1NAAAEPHX2
SCHEMBL23133081 0.73 SPHK1 (0.47) SPHK1EPHX1ACHEMMP2
SCHEMBL4678180 0.71 SPHK1 (0.54) SPHK1EPHX1NAAA
SCHEMBL18434965 0.70 SPHK1 (0.45) SPHK1EPHX1ACHEMMP2
Cyclohexane SCHEMBL28879540 0.70 EPHX1 (0.52) EPHX1NAAAACHEMMP2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 US disclosed