SCHEMBL20463188

SCHEMBL20463188

N=CCCCc1ccc(C(N)=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ EPHX2 P34913 1/20 0.37
▸ OPRM1 P35372 6/20 0.36
▸ OPRD1 P41143 6/20 0.36
▸ OPRK1 P41145 6/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ HPGDS O60760 1/20 0.35
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ ROCK1 Q13464 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
SCHEMBL30826948 0.84 NNMT (0.53) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL31747260 0.76 NNMT (0.45) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL2691837 0.76 NNMT (0.52) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL29537517 0.76 NNMT (0.52) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL31747380 0.75 NNMT (0.44) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL27779102 0.73 NNMT (0.57) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL2937228 0.73 NNMT (0.57) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL30557594 0.73 NNMT (0.57) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL5234177 0.73 NNMT (0.57) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2
SCHEMBL9786932 0.72 NNMT (0.55) NNMTSMN1; SMN2KDM4EL3MBTL1EPHX2

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
WO-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 — — WO disclosed
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