SCHEMBL3369786

SCHEMBL3369786

COC(=O)c1ccc2nc(C(=O)N(C(C)C)C3CCNCC3)n(Cc3cnc(-c4ccc(Cl)s4)s3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.44
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAB9A P51151 1/20 0.31
ACSS2 Q9NR19 2/20 0.31
MC4R P32245 2/20 0.31
KIF11 P52732 1/20 0.31
NLRP3 Q96P20 1/20 0.31
F2 P00734 1/20 0.30
KLK1 P06870 1/20 0.30
REN P00797 1/20 0.30

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
SCHEMBL1380995 0.80 F10 (0.65) F10F2KLK1
SCHEMBL3368844 0.74 F10 (0.65) F10F2KLK1
SCHEMBL3373199 0.73 F10 (0.67) F10F2KLK1
SCHEMBL3369797 0.70 F10 (0.64) F10F2KLK1
SCHEMBL3367396 0.69 F10 (0.64) F10F2KLK1
SCHEMBL4606185 0.68 F10 (0.43) F10F2KLK1
SCHEMBL1378415 0.67 F10 (0.67) F10F2KLK1
SCHEMBL1381864 0.67 F10 (0.79) F10F2KLK1
SCHEMBL3374386 0.66 F10 (0.64) F10F2KLK1
SCHEMBL4606656 0.65 F10 (0.44) F10F2KLK1

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