SCHEMBL4056283

SCHEMBL4056283

CN1CCCC(COc2ccc3nc(-c4csc5ccccc45)cn3n2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR1A P08908 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
PDE2A O00408 1/20 0.35
F2RL3 Q96RI0 2/20 0.35
F2 P00734 1/20 0.35
SLC6A4 P31645 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 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
SCHEMBL3864465 0.81 MKNK1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4GABRA1
SCHEMBL4048768 0.79 PDE10A (0.47) PDE10ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15473696 0.78 PDE10A (0.38) PDE10ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15473558 0.78 PDE10A (0.43) PDE10AGABRA1GABRG2GABRB3GABRA5
SCHEMBL3868180 0.77 MKNK1 (0.47) CHRNB2CHRNB4CHRNA3F2RL3F2
SCHEMBL4056285 0.77 KDM1A (0.38) CHRNB2CHRNB4CHRNA3CHRNA4GABRA1
SCHEMBL4056288 0.71 CCNT1 (0.32) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL3869784 0.71 ROCK2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4GABRA1
SCHEMBL3866862 0.69 MKNK1 (0.40) PDE2ACHRM2CHRM1CYP2D6CHRM4
SCHEMBL3865957 0.68 PIM1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4GABRA1

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