SCHEMBL9976499

SCHEMBL9976499

CN1CCCN(c2ccc(C(=O)Nc3c(O)cccc3C(=O)Nc3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.76
RAB9A P51151 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.52

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
SCHEMBL9976498 0.92 F10 (0.76) F10RAB9AL3MBTL1
SCHEMBL9976500 0.92 F10 (0.81) F10RAB9A
SCHEMBL9979748 0.90 F10 (0.77) F10
SCHEMBL9976501 0.90 F10 (0.68) F10RAB9AL3MBTL1
SCHEMBL5399426 0.87 F10 (1.00) F10
SCHEMBL9976493 0.83 F10 (0.67) F10RAB9AL3MBTL1
SCHEMBL9976489 0.81 F10 (1.00) F10
SCHEMBL9976495 0.79 F10 (0.70) F10
SCHEMBL14350780 0.78 RAB9A (0.58) F10RAB9AL3MBTL1
SCHEMBL9976455 0.78 F10 (1.00) F10RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US disclosed