SCHEMBL11285202

SCHEMBL11285202

CCCCNc1nc(N2CCN(C=O)CC2)nc2c1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
IGF1R P08069 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TLR9 Q9NR96 1/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL11287087 0.88 VCP (0.40) VCPHPGDKDM4EALDH1A1IGF1R
SCHEMBL11285166 0.86 KDM4E (0.39) VCPHPGDKDM4EIGF1RTLR9
SCHEMBL11286732 0.82 HTR2C (0.54) HPGDKDM4EALDH1A1IGF1RHRH3
SCHEMBL11290046 0.82 HTR2A (0.51) HPGDKDM4EALDH1A1IGF1RNPSR1
SCHEMBL11288197 0.79 HTR2A (0.51) HPGDKDM4EALDH1A1IGF1RHTR2C
SCHEMBL11384109 0.78 HTR2C (0.43) HPGDKDM4EHTR2C
SCHEMBL11388666 0.76 HTR2C (0.41) KDM4EALDH1A1HTR2C
SCHEMBL11397225 0.75 HTR2C (0.45) HPGDKDM4EALDH1A1POLBHTR2C
SCHEMBL11399144 0.75 HTR2C (0.47) HPGDKDM4EALDH1A1POLBHTR2C
SCHEMBL11288329 0.74 GBA1 (0.53) HPGDKDM4EALDH1A1HTR2CHTR2A

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
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