SCHEMBL9976493

SCHEMBL9976493

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.67
RAB9A P51151 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.53
F2 P00734 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PPARG P37231 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL14394521 0.91 F10 (0.81) F10
SCHEMBL14350780 0.91 RAB9A (0.58) F10RAB9AL3MBTL1F2SMN1; SMN2
Hydrochloric Acid SCHEMBL5204818 0.90 F10 (0.80) F10
SCHEMBL5202028 0.89 F10 (0.72) F10RAB9A
SCHEMBL4848558 0.87 F10 (0.74) F10RAB9A
SCHEMBL9976501 0.87 F10 (0.68) F10RAB9AL3MBTL1SMN1; SMN2PPARG
SCHEMBL5202433 0.85 F10 (0.71) F10RAB9A
SCHEMBL9976499 0.83 F10 (0.76) F10RAB9AL3MBTL1
SCHEMBL4858972 0.82 F10 (0.69) F10
SCHEMBL5207770 0.81 F10 (0.65) 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 3 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