SCHEMBL4056285

SCHEMBL4056285

CN1CCCC(COc2cc(-c3csc4ccccc34)c3nccn3n2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
PDE2A O00408 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KIT P10721 3/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CDC42BPB Q9Y5S2 1/20 0.34
C5AR1 P21730 1/20 0.34

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
SCHEMBL4048771 0.81 GABRA1 (0.44) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL15473559 0.79 KDM1A (0.43) KDM1ACHRNB4CHRNA3
SCHEMBL15473697 0.78 KDM1A (0.38) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL3868175 0.78 RAB9A (0.42) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL4056283 0.77 PDE10A (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3864465 0.74 MKNK1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3869784 0.71 ROCK2 (0.40) KDM1AGABRA1GABRG2GABRB3GABRA5
SCHEMBL4049613 0.65 L3MBTL1 (0.39) CHRNB2CHRNB4CHRNA3
SCHEMBL3871956 0.64 MKNK1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15473553 0.63 CHRNB4 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4

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-2044071-A1 OOXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-08 EP claimed
WO-2007147646-A1 OXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed