SCHEMBL1431630

SCHEMBL1431630

Cc1ccccc1C[C@H](NC(=O)[C@H]1CCCN1C(C)C)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 4/20 0.43
▸ MASP2 O00187 3/20 0.43
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PPIB P23284 1/20 0.40
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL1432138 0.91 TACR1 (0.45) TACR1MASP2
SCHEMBL1432208 0.91 TACR1 (0.44) TACR1MASP2KMT2AMEN1PPIB
SCHEMBL1432145 0.91 TACR1 (0.46) TACR1MASP2PPIB
SCHEMBL1432383 0.89 TACR1 (0.46) TACR1MASP2
SCHEMBL1431881 0.88 MASP2 (0.41) TACR1MASP2KMT2AMEN1PPIB
SCHEMBL1432069 0.88 MEN1 (0.49) TACR1MASP2KMT2AMEN1PPIB
SCHEMBL1435074 0.87 TACR1 (0.48) TACR1
SCHEMBL1431863 0.85 MEN1 (0.48) MASP2KMT2AMEN1PPIBITGB1
SCHEMBL1431634 0.85 MEN1 (0.41) TACR1MASP2KMT2AMEN1PPIB
SCHEMBL1432518 0.85 MEN1 (0.41) TACR1MASP2KMT2AMEN1PPIB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO disclosed
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