SCHEMBL1433005

SCHEMBL1433005

CC(C)N1CCC[C@@H]1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 3/20 0.47
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 1/20 0.47
▸ F2 P00734 5/20 0.43
▸ ADAM17 P78536 1/20 0.42
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ MASP2 O00187 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ TACR1 P25103 4/20 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
SCHEMBL1432215 0.91 TACR1 (0.45) F2MASP2TACR1
SCHEMBL1432409 0.91 CTSL (0.48) CTSVCTSLCTSSCTSKF2
SCHEMBL1431634 0.90 MEN1 (0.41) MASP2KMT2ATACR1
SCHEMBL1432518 0.90 MEN1 (0.41) MASP2KMT2ATACR1
SCHEMBL1431672 0.89 KMT2A (0.42) MASP2KMT2A
SCHEMBL1432977 0.89 F2 (0.49) CTSVCTSLCTSSCTSKF2
SCHEMBL1432054 0.87 MEN1 (0.40) MASP2KMT2A
SCHEMBL1431881 0.87 MASP2 (0.41) ITGB1ITGA4MASP2KMT2ATACR1
SCHEMBL1432138 0.87 TACR1 (0.45) MASP2TACR1
SCHEMBL1432069 0.86 MEN1 (0.49) ITGB1ITGA4MASP2KMT2ATACR1

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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