SCHEMBL1431810

SCHEMBL1431810

CCN(C)[C@@H](C)C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1cccc(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CPA1 P15085 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ CDK8 P49336 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NAMPT P43490 1/20 0.34

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
SCHEMBL1431682 0.92 MASP2 (0.40) MASP2MEN1KMT2APSEN1PSEN2
SCHEMBL1431749 0.90 MASP2 (0.40) MASP2MEN1KMT2APSEN1PSEN2
SCHEMBL1432197 0.88 F2 (0.40) MASP2MEN1KMT2AOPRM1CDK8
SCHEMBL1432462 0.82 MASP2 (0.39) MASP2MEN1KMT2AOPRM1NAMPT
SCHEMBL1900464 0.81 MASP2 (0.41) MASP2MEN1KMT2AGAANAMPT
SCHEMBL1432618 0.81 NAMPT (0.41) MASP2MEN1KMT2ANAMPT
SCHEMBL1432369 0.81 MASP2 (0.38) MASP2MEN1KMT2ANAMPT
SCHEMBL1432188 0.80 MASP2 (0.39) MASP2OPRM1GAANAMPT
SCHEMBL3153383 0.80 CTSB (0.43) MASP2
SCHEMBL1431805 0.80 CTSB (0.43) MASP2

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
Send feedback