SCHEMBL4947865

SCHEMBL4947865

CN(Cc1cc(-c2ccc(N=CNC(=O)C3CCNCC3)cc2)no1)C(=O)c1ccc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
USP30 Q70CQ3 2/20 0.36
POLB P06746 1/20 0.33
F2 P00734 2/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
F10 P00742 2/20 0.31
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC2 Q92769 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
SCHEMBL1097246 0.80 USP30 (0.43) CHRNB2CHRNA4USP30POLBNPC1
SCHEMBL1097248 0.80 USP30 (0.43) CHRNB2CHRNA4USP30POLBNPC1
SCHEMBL1096377 0.76 USP30 (0.41) CHRNB2CHRNA4USP30NPC1RAB9A
SCHEMBL1096379 0.76 USP30 (0.41) CHRNB2CHRNA4USP30NPC1RAB9A
SCHEMBL1096532 0.73 POLB (0.40) CHRNB2CHRNA4USP30POLBLMNA
SCHEMBL1096810 0.73 POLB (0.39) CHRNB2CHRNA4USP30POLBLMNA
SCHEMBL1097250 0.72 USP30 (0.42) CHRNB2CHRNA4USP30NPC1RAB9A
SCHEMBL1096609 0.72 USP30 (0.40) CHRNB2CHRNA4USP30POLBLMNA
SCHEMBL4947837 0.71 F10 (0.32) F2LMNAF10SMN1; SMN2HDAC2
SCHEMBL1096239 0.71 POLB (0.38) CHRNB2CHRNA4USP30POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed