SCHEMBL1432276

SCHEMBL1432276

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N(CCc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ PPIB P23284 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ USP30 Q70CQ3 3/20 0.39
▸ UCHL1 P09936 3/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ NPC1 O15118 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
SCHEMBL1433071 0.80 ALDH1A1 (0.50) ALDH1A1PPIBOPRK1USP30MEN1
SCHEMBL1434992 0.80 ALDH1A1 (0.50) ALDH1A1PPIBOPRK1USP30MEN1
SCHEMBL1432283 0.78 ALDH1A1 (0.49) ALDH1A1PPIBOPRK1UCHL1SCN5A
SCHEMBL1432165 0.74 CA2 (0.40) ALDH1A1
SCHEMBL1432163 0.74 CA2 (0.40) ALDH1A1
SCHEMBL1432112 0.73 TSHR (0.32) —
SCHEMBL1432114 0.73 TSHR (0.32) —
SCHEMBL1431933 0.73 PPIB (0.38) ALDH1A1PPIBMEN1KMT2AHRH3
SCHEMBL5794632 0.68 HRH2 (0.53) ALDH1A1OPRK1UCHL1MEN1KMT2A
SCHEMBL5794630 0.68 HRH2 (0.53) ALDH1A1OPRK1UCHL1MEN1KMT2A

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO disclosed
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