SCHEMBL9976501

SCHEMBL9976501

CN1CCCN(c2ccc(C(=O)Nc3c(O)cc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.68
RAB9A P51151 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
PPARG P37231 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL9976499 0.90 F10 (0.76) F10RAB9AL3MBTL1
SCHEMBL9976493 0.87 F10 (0.67) F10RAB9AL3MBTL1SMN1; SMN2PPARG
SCHEMBL9976498 0.82 F10 (0.76) F10RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL9976500 0.81 F10 (0.81) F10RAB9A
SCHEMBL5404866 0.81 F10 (1.00) F10
Hydrochloric Acid SCHEMBL5428074 0.80 F10 (1.00) F10
SCHEMBL14350780 0.80 RAB9A (0.58) F10RAB9AL3MBTL1SMN1; SMN2PPARG
SCHEMBL9979748 0.80 F10 (0.77) F10
SCHEMBL5398111 0.79 F10 (1.00) F10RAB9A
SCHEMBL14394521 0.78 F10 (0.81) F10

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