SCHEMBL1432780

SCHEMBL1432780

CC(C)CN1CCCC1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 7/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ MASP2 O00187 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PSMB1 P20618 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PSMB2 P49721 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
SCHEMBL1432209 1.00 F2 (0.42) F2MEN1KMT2AXIAPMASP2
SCHEMBL1431769 0.93 DPP4 (0.39) F2MEN1KMT2AXIAPMASP2
SCHEMBL1432630 0.93 DPP4 (0.39) F2MEN1KMT2AXIAPMASP2
SCHEMBL1432074 0.91 DPP4 (0.38) F2MEN1KMT2AXIAPMASP2
SCHEMBL1432174 0.91 DPP4 (0.38) F2MEN1KMT2AXIAPMASP2
SCHEMBL3150073 0.90 MASP2 (0.40) F2MEN1KMT2AXIAPMASP2
SCHEMBL3154107 0.90 PPIB (0.40) F2MEN1KMT2AXIAPMASP2
SCHEMBL1432028 0.90 HDAC1 (0.40) F2MEN1KMT2AXIAPDPP4
SCHEMBL1431634 0.89 MEN1 (0.41) MEN1KMT2AXIAPMASP2DPP4
SCHEMBL1432518 0.89 MEN1 (0.41) MEN1KMT2AXIAPMASP2DPP4

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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