SCHEMBL1432571

SCHEMBL1432571

CN1CCCC1C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.41
▸ MASP2 O00187 2/20 0.40
▸ ITGB1 P05556 3/20 0.40
▸ ITGA4 P13612 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PPIB P23284 1/20 0.39
▸ TACR1 P25103 4/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ AVPR1A P37288 2/20 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
SCHEMBL1432824 0.92 MASP2 (0.41) MASP2ITGB1ITGA4MEN1KMT2A
SCHEMBL1432532 0.91 MEN1 (0.48) MASP2ITGB1ITGA4MEN1KMT2A
SCHEMBL1431814 0.91 MEN1 (0.48) MASP2ITGB1ITGA4MEN1KMT2A
SCHEMBL1432409 0.91 CTSL (0.48) ITGB1ITGA4
SCHEMBL1431568 0.91 TACR1 (0.44) MASP2ITGB1ITGA4PPIBTACR1
SCHEMBL1432349 0.90 EPHX2 (0.45) —
SCHEMBL1432180 0.90 DPP4 (0.40) MASP2MEN1KMT2APPIB
SCHEMBL1431638 0.90 DPP4 (0.40) MASP2MEN1KMT2APPIB
SCHEMBL1433004 0.90 PPIB (0.43) MASP2MEN1KMT2APPIB
Hydrochloric Acid SCHEMBL1432515 0.89 DPP4 (0.40) MASP2MEN1KMT2APPIB

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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