SCHEMBL1902808

SCHEMBL1902808

Nc1ccc(CNC(=O)C(CC2CCCC3CCCC[C@@H]32)NC(=O)C2CCCC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MASP2 O00187 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ PSMB10 P40306 2/20 0.38
▸ PSMB2 P49721 2/20 0.38
▸ CHRNB2 P17787 3/20 0.37
▸ CHRNB4 P30926 3/20 0.37
▸ CHRNA3 P32297 3/20 0.37
▸ CHRNA4 P43681 3/20 0.37
▸ GRIA1 P42261 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CPB2 Q96IY4 3/20 0.35
▸ CPB1 P15086 1/20 0.35
▸ F10 P00742 1/20 0.35

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
SCHEMBL1431917 0.89 PSMB10 (0.40) MASP2PSMB10PSMB2CPB2CPB1
SCHEMBL1431923 0.89 PSMB10 (0.40) MASP2PSMB10PSMB2CPB2CPB1
SCHEMBL1903263 0.88 MASP2 (0.40) MASP2PSMB10PSMB2CPB2CPB1
SCHEMBL1432229 0.88 MASP2 (0.43) MASP2PSMB10PSMB2CPB2CPB1
SCHEMBL1908006 0.88 MASP2 (0.41) MASP2PSMB10PSMB2CPB2CPB1
SCHEMBL1903269 0.88 MASP2 (0.40) MASP2PSMB10PSMB2CPB2CPB1
SCHEMBL1432232 0.88 MASP2 (0.43) MASP2PSMB10PSMB2CPB2CPB1
SCHEMBL3148239 0.88 MASP2 (0.43) MASP2PSMB10PSMB2CPB2CPB1
SCHEMBL1907930 0.88 MASP2 (0.41) MASP2PSMB10PSMB2CPB2CPB1
SCHEMBL1431974 0.88 MASP2 (0.44) MASP2PSMB10PSMB2

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
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 — — WO claimed
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 — — WO disclosed
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