SCHEMBL1432215

SCHEMBL1432215

CC(C)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 12/20 0.45
▸ XIAP P98170 1/20 0.39
▸ MASP2 O00187 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL1433005 0.91 CTSV (0.47) TACR1MASP2F2
SCHEMBL1431568 0.90 TACR1 (0.44) TACR1XIAPMASP2
SCHEMBL1432518 0.89 MEN1 (0.41) TACR1XIAPMASP2
SCHEMBL1431634 0.89 MEN1 (0.41) TACR1XIAPMASP2
SCHEMBL1431881 0.88 MASP2 (0.41) TACR1MASP2
SCHEMBL1432153 0.88 TACR1 (0.43) TACR1XIAPMASP2
SCHEMBL1432138 0.88 TACR1 (0.45) TACR1MASP2
SCHEMBL1432069 0.88 MEN1 (0.49) TACR1MASP2
SCHEMBL1432054 0.87 MEN1 (0.40) XIAPMASP2
SCHEMBL1431672 0.86 KMT2A (0.42) MASP2HRH3

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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