SCHEMBL1432383

SCHEMBL1432383

CC(C)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.46
▸ SCN9A Q15858 9/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ MASP2 O00187 2/20 0.41
▸ SCN10A Q9Y5Y9 4/20 0.40
▸ XIAP P98170 3/20 0.40
▸ PLG P00747 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ EPHX2 P34913 1/20 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
SCHEMBL1432725 0.91 TACR1 (0.46) TACR1SCN9ACYP3A4MASP2SCN10A
SCHEMBL1432208 0.90 TACR1 (0.44) TACR1SCN9AMASP2XIAP
SCHEMBL1431630 0.89 TACR1 (0.43) TACR1MASP2
SCHEMBL1432138 0.88 TACR1 (0.45) TACR1MASP2
SCHEMBL1432145 0.88 TACR1 (0.46) TACR1MASP2PLGPRSS1PRSS2
SCHEMBL1432069 0.85 MEN1 (0.49) TACR1MASP2
SCHEMBL1435074 0.84 TACR1 (0.48) TACR1
SCHEMBL1431881 0.84 MASP2 (0.41) TACR1CYP3A4MASP2
SCHEMBL1431634 0.83 MEN1 (0.41) TACR1MASP2XIAP
SCHEMBL1432518 0.83 MEN1 (0.41) TACR1MASP2XIAP

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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