SCHEMBL5084438

SCHEMBL5084438

CN(Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)nn1)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAT P00750 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PTGS1 P23219 6/20 0.34
PTGS2 P35354 5/20 0.34
KCNH2 Q12809 1/20 0.34
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33

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
SCHEMBL4048443 0.83 RORC (0.47) PLATNOS3NOS1NOS2PTGS1
SCHEMBL3983476 0.83 PLAT (0.39) PLATSLC6A2SLC6A4SLC6A3NOS3
SCHEMBL4974300 0.82 GPR119 (0.41) KCNH2
SCHEMBL5079994 0.81 RORC (0.41) PLATSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14262620 0.77 GPR119 (0.57)
SCHEMBL5079948 0.72 RORC (0.41) PLATSLC6A2SLC6A4SLC6A3PTGS1
SCHEMBL17674424 0.70 PTGS2 (0.41) PTGS1PTGS2
SCHEMBL4974436 0.70 PTGS2 (0.43) PTGS1PTGS2
SCHEMBL5082147 0.70 RORC (0.44) PLATSLC6A2SLC6A4SLC6A3NOS3
SCHEMBL5026080 0.70 PTGS2 (0.37) PLATPTGS1PTGS2

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
WO-2008025799-A1 PYRIDAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed