SCHEMBL4743326

SCHEMBL4743326

NC(=O)N1CCC(C2CCNCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.49
GNAO1 P09471 6/20 0.49
GNAI1 P63096 6/20 0.49
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
GABRA1 P14867 2/20 0.37
TSHR P16473 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRA6 Q16445 2/20 0.37

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
SCHEMBL4743328 0.87 KDM1A (0.37) GNAI3GNAO1GNAI1L3MBTL3TSHR
SCHEMBL144841 0.81 GNAI3 (0.50) GNAI3GNAO1GNAI1L3MBTL3L3MBTL1
SCHEMBL13461191 0.79 GNAI3 (0.45) GNAI3GNAO1GNAI1L3MBTL3L3MBTL1
SCHEMBL13801425 0.79 GNAI3 (0.53) GNAI3GNAO1GNAI1L3MBTL3L3MBTL1
SCHEMBL28247533 0.78 MBTD1 (0.45) L3MBTL3ITGB3ITGA2BTSHRMBTD1
SCHEMBL242268 0.77
SCHEMBL4437908 0.77 GNAI3 (0.49) GNAI3GNAO1GNAI1L3MBTL3L3MBTL1
SCHEMBL1400926 0.76 L3MBTL3 (0.45) L3MBTL3L3MBTL1CHRNB2CHRNA3CHRNA4
SCHEMBL13772844 0.76 GNAI3 (0.58) GNAI3GNAO1GNAI1L3MBTL3L3MBTL1
Water SCHEMBL15152290 0.75 CA2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-1912972-A1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS Novartis AG (CH) 2008-04-23 EP claimed
WO-2007021794-A1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2007-02-22 WO claimed