SCHEMBL3368996

SCHEMBL3368996

COC(=O)Oc1cccc2c1nc(C(=O)NC1CCN(C3CC3)CC1)n2CC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.52
F2 P00734 2/20 0.52
DRD2 P14416 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3371323 0.93 F10 (0.50) F10F2ALDH1A1LMNANPC1
SCHEMBL3374120 0.91 F10 (0.64) F10F2
SCHEMBL3369922 0.88 F10 (0.52) F10F2ALDH1A1LMNASMN1; SMN2
SCHEMBL3369485 0.86 F10 (0.52) F10F2ALDH1A1LMNARAB9A
SCHEMBL3368985 0.85 F10 (0.64) F10F2
SCHEMBL1380548 0.83 F10 (0.65) F10F2
SCHEMBL1382441 0.83 F10 (0.48) F10F2ALDH1A1LMNASMN1; SMN2
SCHEMBL1383452 0.82 F10 (0.63) F10F2
SCHEMBL1379117 0.80 F10 (0.61) F10F2
SCHEMBL3370041 0.80 F10 (0.65) F10F2

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-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed