SCHEMBL10933430

SCHEMBL10933430

CCCNc1nc2c(s1)CCN1C(=O)CSc3cccc-2c31

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.45
POLB P06746 1/20 0.33
ADRB2 P07550 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
HTR5A P47898 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10933216 0.95 NPY5R (0.48) NPY5RPOLBADRB2CYP3A4HTR1A
SCHEMBL10931360 0.93 NPY5R (0.49) NPY5RKMT2ATDP1L3MBTL1KDM4E
SCHEMBL10935015 0.93 NPY5R (0.51) NPY5RADRB2CYP3A4HTR1AHTR1D
SCHEMBL10937070 0.87 POLB (0.36) NPY5RPOLBADRB2CYP3A4HTR1A
SCHEMBL10935069 0.85 NPY5R (0.39) NPY5RPOLBADRB2CYP3A4HTR1A
SCHEMBL10933747 0.84 NPY5R (0.37) NPY5RPOLBADRB2CYP3A4HTR1A
SCHEMBL10933929 0.83 POLB (0.39) NPY5RPOLBALDH1A1HPGDMEN1
SCHEMBL10933516 0.82 GRM4 (0.44) NPY5RPOLBADRB2CYP3A4HTR1A
SCHEMBL10932003 0.80 ADORA1 (0.44) NPY5RPOLBALDH1A1HPGDMAPT
SCHEMBL11221756 0.80 GRM4 (0.43) NPY5RADRB2CYP3A4HTR1AHTR1D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0042435-B1 BENZOTHIAZINE DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1985-06-12 EP claimed
US-4358407-A Benzothiazine derivatives YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1982-11-09 US claimed
US-4358407-A Benzothiazine derivatives YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1982-11-09 US disclosed
EP-0042435-A1 BENZOTHIAZINE DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1981-12-30 EP disclosed