SCHEMBL1432349

SCHEMBL1432349

CN1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.45
▸ P2RX7 Q99572 16/20 0.44
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1431988 0.90 TACR1 (0.44) —
SCHEMBL1432571 0.90 LCK (0.41) —
SCHEMBL1432409 0.88 CTSL (0.48) —
SCHEMBL1431568 0.88 TACR1 (0.44) EPHX2P2RX7
SCHEMBL1431638 0.85 DPP4 (0.40) ALDH1A1
SCHEMBL1432180 0.85 DPP4 (0.40) ALDH1A1
Hydrochloric Acid SCHEMBL1432515 0.85 DPP4 (0.40) ALDH1A1
SCHEMBL1432824 0.84 MASP2 (0.41) —
SCHEMBL1433133 0.84 TACR1 (0.43) —
SCHEMBL1432690 0.84 TLR2 (0.42) —

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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