SCHEMBL8357465

SCHEMBL8357465

CCOc1nc2c(C(=O)O)ccc(Cc3ccc(-c4ccccc4C#N)cc3)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 6/20 0.45
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
XDH P47989 1/20 0.36

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
SCHEMBL12475515 0.93 BRS3 (0.45) BRS3FFAR1AKR1B1AGTR1AGTR2
SCHEMBL3976315 0.91 BRS3 (0.44) BRS3FFAR1AKR1B1AGTR1AGTR2
SCHEMBL5592930 0.86 BRS3 (0.39) BRS3FFAR1AKR1B1EGLN1
SCHEMBL3978313 0.84 BRS3 (0.46) BRS3FFAR1AKR1B1AGTR1AGTR2
SCHEMBL1775436 0.83 AGTR1 (0.38) BRS3AGTR1AGTR2
SCHEMBL7376273 0.82 BRS3 (0.42) BRS3FFAR1AKR1B1AGTR1AGTR2
SCHEMBL8359615 0.81 BRS3 (0.44) BRS3FFAR1AKR1B1AGTR1AGTR2
SCHEMBL844426 0.77 AGTR1 (0.38) BRS3AGTR1AGTR2
SCHEMBL2598197 0.76 XDH (0.38) BRS3XDH
SCHEMBL6917321 0.76 ABCB11 (0.36) BRS3AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed