SCHEMBL1432138

SCHEMBL1432138

CC(C)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 16/20 0.45
▸ MASP2 O00187 2/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL1431630 0.91 TACR1 (0.43) TACR1MASP2
SCHEMBL1432208 0.91 TACR1 (0.44) TACR1MASP2POLB
SCHEMBL1431988 0.90 TACR1 (0.44) TACR1MASP2POLB
SCHEMBL1432145 0.90 TACR1 (0.46) TACR1MASP2
SCHEMBL1432383 0.88 TACR1 (0.46) TACR1MASP2
SCHEMBL1432215 0.88 TACR1 (0.45) TACR1MASP2
SCHEMBL1433005 0.87 CTSV (0.47) TACR1MASP2
SCHEMBL1435074 0.86 TACR1 (0.48) TACR1
SCHEMBL1431881 0.86 MASP2 (0.41) TACR1MASP2
SCHEMBL1432069 0.85 MEN1 (0.49) TACR1MASP2

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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