SCHEMBL1432632

SCHEMBL1432632

Nc1ccc(CNC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H]2CCCCN2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 4/20 0.47
▸ F2 P00734 5/20 0.44
▸ GHSR Q92847 1/20 0.43
▸ FNTA P49354 1/20 0.43
▸ PGGT1B P53609 1/20 0.43
▸ CTSC P53634 1/20 0.43
▸ PLG P00747 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ NTMT1 Q9BV86 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRM1 Q13255 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39

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
SCHEMBL1432231 0.89 MASP2 (0.47) MASP2F2GHSRCTSCHTR2C
SCHEMBL1432411 0.87 MASP2 (0.46) MASP2F2GHSRCTSCHTR2C
SCHEMBL1432735 0.84 MASP2 (0.46) MASP2F2CTSCHTR2CHTR2B
SCHEMBL1432888 0.84 CTSL (0.49) MASP2F2CTSCHTR2CHTR2B
SCHEMBL1432761 0.82 MASP2 (0.44) MASP2CTSCHTR2CHTR2B
SCHEMBL1432216 0.82 MASP2 (0.44) MASP2F2GHSRFNTAPGGT1B
SCHEMBL1433336 0.81 TACR1 (0.46) MASP2F2FNTAPGGT1BPLG
SCHEMBL1432145 0.80 TACR1 (0.46) MASP2F2FNTAPGGT1BPLG
SCHEMBL1907859 0.79 CYP3A4 (0.42) MASP2FNTAPGGT1BOPRD1
SCHEMBL1902805 0.79 OPRD1 (0.46) MASP2CHRNB2CHRNB4CHRNA3CHRNA4

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
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