SCHEMBL7045696

SCHEMBL7045696

COCCn1c(C2CCCNC2)nc2c(OC(N)=O)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.48
HRH1 P35367 3/20 0.48
PARP1 P09874 5/20 0.39
REN P00797 1/20 0.39
ADORA2A P29274 1/20 0.38
NPY1R P25929 8/20 0.37
PARP2 Q9UGN5 4/20 0.37
PARP3 Q9Y6F1 3/20 0.37
TNKS O95271 1/20 0.37
CHRM2 P08172 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
DYRK1A Q13627 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP12 Q9H0J9 1/20 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
SCHEMBL7044268 0.94 HRH1 (0.41) CHRM1HRH1PARP1RENNPY1R
SCHEMBL7041213 0.90 CHRM1 (0.46) CHRM1HRH1PARP1ADORA2ANPY1R
SCHEMBL7043993 0.90 CHRM1 (0.46) CHRM1HRH1PARP1ADORA2ANPY1R
SCHEMBL7044486 0.89 CHRM1 (0.44) CHRM1HRH1PARP1ADORA2ANPY1R
SCHEMBL7045084 0.89 JAK2 (0.46) CHRM1HRH1PARP1JAK2JAK1
SCHEMBL7039421 0.88 CHRM1 (0.44) CHRM1HRH1PARP1ADORA2ANPY1R
SCHEMBL7042453 0.87 CHRM1 (0.44) CHRM1HRH1PARP1NPY1RPARP2
SCHEMBL5620784 0.87 PARP1 (0.51) CHRM1HRH1PARP1RENPARP2
SCHEMBL7044663 0.86 CHRM1 (0.44) CHRM1HRH1PARP1NPY1RPARP2
SCHEMBL7041803 0.86 TAAR1 (0.41) CHRM1HRH1PARP1RENPARP2

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
EP-1133477-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-02-18 EP disclosed
EP-1133477-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000032579-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-06-08 WO disclosed