SCHEMBL5569370

SCHEMBL5569370

NC1(CNC(=O)c2ccc(C3(CN4CCCC4)CC3)cc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.48
▸ F2 P00734 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ POLB P06746 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ HTT P42858 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL5569367 0.86 F10 (0.47) F10F2LMNAPOLBL3MBTL1
SCHEMBL5570724 0.82 F10 (0.50) F10F2LMNAPOLBL3MBTL1
SCHEMBL5570726 0.82 F10 (0.50) F10F2POLBL3MBTL1ALDH1A1
SCHEMBL5567238 0.80 F10 (0.48) F10F2LMNAPOLBL3MBTL1
SCHEMBL5566765 0.80 F10 (0.50) F10F2LMNAPOLBL3MBTL1
SCHEMBL5567235 0.80 F10 (0.48) F10F2LMNAPOLBL3MBTL1
SCHEMBL5669697 0.79 ALDH1A1 (0.62) F10F2ALDH1A1MEN1KMT2A
SCHEMBL5566762 0.79 F10 (0.47) F10F2LMNAPOLBL3MBTL1
SCHEMBL5570741 0.77 F10 (0.48) F10F2POLBSMN1; SMN2SLC6A2
SCHEMBL5642929 0.76 F10 (0.49) F10F2LMNAL3MBTL1ALDH1A1

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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