SCHEMBL5143133

SCHEMBL5143133

Cc1cc2c(s1)Nc1ccccc1N=C2[AsH2]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.58
CHRM1 P11229 7/20 0.58
DRD1 P21728 5/20 0.58
LMNA P02545 5/20 0.58
CHRM2 P08172 4/20 0.58
CHRM4 P08173 4/20 0.58
CHRM5 P08912 4/20 0.58
CHRM3 P20309 4/20 0.58
ADRA1D P25100 4/20 0.58
HTR2A P28223 4/20 0.58
HTR2C P28335 4/20 0.58
ADRA1A P35348 4/20 0.58
HRH1 P35367 4/20 0.58
ADRA1B P35368 4/20 0.58
HTR2B P41595 4/20 0.58
ADRA2A P08913 3/20 0.58
ADRA2B P18089 3/20 0.58
ADRA2C P18825 3/20 0.58
KCNH2 Q12809 3/20 0.58
MEN1 O00255 3/20 0.58

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
SCHEMBL12208493 0.85 DRD2 (0.61) DRD2CHRM1DRD1LMNACHRM2
SCHEMBL12227061 0.82 DRD2 (0.62) DRD2CHRM1DRD1LMNACHRM2
SCHEMBL79367 0.82 DRD2 (0.58) DRD2CHRM1DRD1LMNACHRM2
SCHEMBL8490022 0.82 CHRM1 (0.58) DRD2CHRM1DRD1LMNACHRM2
SCHEMBL22076574 0.82 DRD2 (0.58) DRD2CHRM1DRD1LMNACHRM2
Hydrochloric Acid SCHEMBL937256 0.81 DRD2 (0.57) DRD2CHRM1DRD1LMNACHRM2
Hydrochloric Acid SCHEMBL30040103 0.81 DRD2 (0.57) DRD2CHRM1DRD1LMNACHRM2
SCHEMBL8215854 0.79 DRD2 (0.55) DRD2CHRM1DRD1LMNACHRM2
SCHEMBL25873330 0.75 CHRM2 (0.51) DRD2CHRM1DRD1LMNACHRM2
Olanzapine SCHEMBL28763 0.74 CHRM1 (1.00) DRD2CHRM1DRD1LMNACHRM2

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-1778649-A4 A PROCESS FOR PRODUCING PURE FORM OF 2-METHYL-4-(4-METHYL-1-PIPERAZINYL)-10H-THIENO[2,3-b][1,5]BENZODIAZEPINE JUBILANT ORGANOSYS LTD (IN) 2008-09-10 EP disclosed
EP-1778649-A1 A PROCESS FOR PRODUCING PURE FORM OF 2-METHYL-4-(4-METHYL-1-PIPERAZINYL)-10H-THIENO[2,3-b][1,5]BENZODIAZEPINE Jubilant Organosys Limited (IN) 2007-05-02 EP disclosed
WO-2006006180-A1 A PROCESS FOR PRODUCING PURE FORM OF 2-METHYL-4-(4-METHYL-1-PIPERAZINYL)-10H-THIENO[2,3-b][1,5]BENZODIAZEPINE JUBILANT ORGANOSYS LIMITED (IN) 2006-01-19 WO disclosed