SCHEMBL9296356

SCHEMBL9296356

CCCCN=C1SC=NC1(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.33
AGTR1 P30556 14/20 0.33
AGTR2 P50052 7/20 0.32
ABCB11 O95342 1/20 0.31
GP6 Q9HCN6 1/20 0.31

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
SCHEMBL9296349 1.00 LTB4R2 (0.33) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL9296496 0.90 AGTR1 (0.33) LTB4R2AGTR1AGTR2
SCHEMBL9296491 0.90 AGTR1 (0.33) LTB4R2AGTR1AGTR2
SCHEMBL9296082 0.73 AGT (0.41) AGTR1AGTR2
SCHEMBL9296077 0.73 AGT (0.41) AGTR1AGTR2
SCHEMBL16403650 0.71 LTB4R2 (0.35) LTB4R2AGTR1AGTR2
SCHEMBL6953051 0.69 HSD11B1 (0.47) AGTR1AGTR2
SCHEMBL9709753 0.69 LTB4R2 (0.42) LTB4R2AGTR1AGTR2ABCB11GP6
SCHEMBL9709732 0.68 LTB4R2 (0.41) LTB4R2AGTR1AGTR2
SCHEMBL6949197 0.68 HSD11B1 (0.47) AGTR1AGTR2

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-5326776-A Tetrazoles ABBOTT LABORATORIES (US) 1994-07-05 US disclosed