SCHEMBL5569367

SCHEMBL5569367

NC(=O)C1(CNC(=O)c2ccc(C3(CN4CCCC4)CC3)cc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.47
▸ F2 P00734 1/20 0.47
▸ LMNA P02545 3/20 0.45
▸ POLB P06746 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ HTT P42858 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ CHRNA7 P36544 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39

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
SCHEMBL5569370 0.86 F10 (0.48) F10F2LMNAPOLBALDH1A1
SCHEMBL5570724 0.83 F10 (0.50) F10F2LMNAPOLBALDH1A1
SCHEMBL5570726 0.81 F10 (0.50) F10F2POLBALDH1A1L3MBTL1
SCHEMBL5567235 0.80 F10 (0.48) F10F2LMNAPOLBALDH1A1
SCHEMBL5566762 0.79 F10 (0.47) F10F2LMNAPOLBALDH1A1
SCHEMBL5566765 0.78 F10 (0.50) F10F2LMNAPOLBALDH1A1
SCHEMBL5567238 0.78 F10 (0.48) F10F2LMNAPOLBALDH1A1
SCHEMBL5669697 0.77 ALDH1A1 (0.62) F10F2ALDH1A1MEN1KMT2A
SCHEMBL5569549 0.75 F10 (0.48) F10F2POLBMEN1KMT2A
SCHEMBL5570741 0.75 F10 (0.48) F10F2POLBSMN1; SMN2NPSR1

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
US-7250415-B2 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-31 — — US disclosed
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