SCHEMBL1906629

SCHEMBL1906629

Nc1ccc(CNC(=O)[C@@H](CNC(=O)CCCc2ccccc2)C2CCCC3CCCCC32)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ TRPV1 Q8NER1 3/20 0.39
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ MASP2 O00187 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ EPHX1 P07099 1/20 0.36

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
SCHEMBL1901133 0.85 MASP2 (0.39) F2PRSS1MASP2LMNAHDAC1
SCHEMBL1901982 0.84 MASP2 (0.39) HPGDF2PRSS1MASP2ALDH1A1
SCHEMBL1432135 0.82 MASP2 (0.39) F2PRSS1MASP2LMNAALDH1A1
SCHEMBL1906624 0.82 F2 (0.40) F2PRSS1MASP2EPHX2
SCHEMBL1906627 0.82 F2 (0.40) F2PRSS1MASP2EPHX2
SCHEMBL1432234 0.82 MASP2 (0.42) F2PRSS1MASP2
SCHEMBL1431623 0.80 MASP2 (0.41) F2PRSS1MASP2HDAC1
SCHEMBL1432038 0.79 MASP2 (0.38) MASP2HDAC1
SCHEMBL1433593 0.79 MASP2 (0.35) MASP2
SCHEMBL1432321 0.78 MASP2 (0.38) F2PRSS1MASP2

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