SCHEMBL11285108

SCHEMBL11285108

CN(C)c1nc(N2CCNCC2)nc2c1CCCC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.67
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
HTR2A P28223 4/20 0.49
HRH1 P35367 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.42
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL11284926 0.86 HTR2A (0.67) HTR2CPDE4APDE4BPDE4CPDE4D
SCHEMBL10512778 0.81 HTR2C (0.68) HTR2CHTR2AHRH1USP2SMN1; SMN2
SCHEMBL1620638 0.81 HTR2C (0.74) HTR2CPDE4APDE4BPDE4CPDE4D
SCHEMBL11288596 0.81 HTR2C (0.53) HTR2CPDE4APDE4BPDE4CPDE4D
SCHEMBL11393857 0.79 HTR2C (1.00) HTR2CHTR2AHRH1USP2SMN1; SMN2
SCHEMBL11283943 0.78 HTR2C (0.52) HTR2CHTR2ASMN1; SMN2KDM4EHPGD
SCHEMBL11280239 0.78 HTR2C (0.64) HTR2CHTR2AHRH1USP2SMN1; SMN2
SCHEMBL11286718 0.78 HTR2A (0.65) HTR2CHTR2AHRH1USP2SMN1; SMN2
SCHEMBL11286794 0.77 HTR2C (0.62) HTR2CPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL11292638 0.77 HTR2C (0.62) HTR2CHTR2AHRH1USP2SMN1; SMN2

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
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US claimed
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP disclosed