SCHEMBL9002167

SCHEMBL9002167

CCCCCNC(=NC#N)Nc1cccc(C(=CCCCC(=O)O)c2cccnc2)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 20/20 0.69
TBXAS1 P24557 20/20 0.69

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
SCHEMBL9002139 1.00 TBXA2R (0.69) TBXA2RTBXAS1
SCHEMBL9002149 1.00 TBXA2R (0.69) TBXA2RTBXAS1
SCHEMBL9002314 0.90 TBXA2R (0.73) TBXA2RTBXAS1
SCHEMBL9002676 0.90 TBXA2R (0.73) TBXA2RTBXAS1
SCHEMBL9002694 0.90 TBXA2R (0.73) TBXA2RTBXAS1
SCHEMBL9002298 0.90 TBXA2R (0.73) TBXA2RTBXAS1
SCHEMBL9002293 0.90 TBXA2R (0.73) TBXA2RTBXAS1
SCHEMBL9002672 0.90 TBXA2R (0.73) TBXA2RTBXAS1
SCHEMBL9002541 0.89 TBXA2R (0.70) TBXA2RTBXAS1
SCHEMBL9002545 0.89 TBXA2R (0.70) TBXA2RTBXAS1

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-0547517-B1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-05-17 EP claimed
US-5482948-A Pyridyl derivatives and pharmaceutical compositions comprising these compounds DR. KARL THOMAE GMBH (DE) 1996-01-09 US disclosed