SCHEMBL1432452

SCHEMBL1432452

CN1CCC[C@@H]1C(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MASP2 O00187 3/20 0.39
▸ PPIB P23284 1/20 0.38
▸ ITGB1 P05556 2/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ AADAT Q8N5Z0 1/20 0.36
▸ MET P08581 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ FURIN P09958 1/20 0.35

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
SCHEMBL1432690 1.00 TLR2 (0.42) TLR2MEN1KMT2AMASP2PPIB
SCHEMBL1431814 0.93 MEN1 (0.48) TLR2MEN1KMT2AMASP2PPIB
SCHEMBL1432532 0.93 MEN1 (0.48) TLR2MEN1KMT2AMASP2PPIB
SCHEMBL1433055 0.93 KMT2A (0.43) TLR2MEN1KMT2AMASP2PPIB
SCHEMBL1432319 0.93 KMT2A (0.43) TLR2MEN1KMT2AMASP2PPIB
SCHEMBL1432180 0.92 DPP4 (0.40) TLR2MEN1KMT2AMASP2PPIB
SCHEMBL1431638 0.92 DPP4 (0.40) TLR2MEN1KMT2AMASP2PPIB
Hydrochloric Acid SCHEMBL1432515 0.91 DPP4 (0.40) TLR2MEN1KMT2AMASP2PPIB
SCHEMBL1433193 0.91 MEN1 (0.47) TLR2MEN1KMT2AMASP2PPIB
SCHEMBL1432347 0.91 MEN1 (0.47) TLR2MEN1KMT2AMASP2PPIB

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 claimed
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