SCHEMBL1432208

SCHEMBL1432208

CC(C)N1CCCC1C(=O)N[C@@H](Cc1ccccc1F)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.44
▸ MASP2 O00187 3/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PPIB P23284 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ XIAP P98170 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SCN9A Q15858 2/20 0.38
▸ POLB P06746 1/20 0.37

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) TACR1MASP2KMT2AMEN1PPIB
SCHEMBL1432138 0.91 TACR1 (0.45) TACR1MASP2POLB
SCHEMBL1433133 0.90 TACR1 (0.43) TACR1MASP2KMT2AMEN1PPIB
SCHEMBL1432383 0.90 TACR1 (0.46) TACR1MASP2XIAPSCN9A
SCHEMBL1432145 0.90 TACR1 (0.46) TACR1MASP2PPIB
SCHEMBL1431634 0.89 MEN1 (0.41) TACR1MASP2KMT2AMEN1PPIB
SCHEMBL1432518 0.89 MEN1 (0.41) TACR1MASP2KMT2AMEN1PPIB
SCHEMBL1432069 0.89 MEN1 (0.49) TACR1MASP2KMT2AMEN1PPIB
SCHEMBL1432054 0.86 MEN1 (0.40) MASP2KMT2AMEN1PPIBXIAP
SCHEMBL1431863 0.86 MEN1 (0.48) MASP2KMT2AMEN1PPIB

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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