SCHEMBL11288596

SCHEMBL11288596

OCCN(CCO)c1nc(N2CCNCC2)nc2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.53
HTR2A P28223 3/20 0.49
HRH1 P35367 1/20 0.41
USP2 O75604 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 4/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 2/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
SLC29A1 Q99808 5/20 0.33
LMNA P02545 2/20 0.33
HIF1A Q16665 2/20 0.33
NPSR1 Q6W5P4 2/20 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
SCHEMBL11284926 0.84 HTR2A (0.67) HTR2CHTR2AHRH1USP2SMN1; SMN2
SCHEMBL11289281 0.81 HTR2A (0.39) HTR2CHTR2AUSP2SMN1; SMN2TDP1
SCHEMBL11285108 0.81 HTR2C (0.67) HTR2CHTR2AHRH1USP2SMN1; SMN2
SCHEMBL11199808 0.78 HTR2C (0.50) HTR2CKDM4EALDH1A1LMNAHIF1A
SCHEMBL11201354 0.77 HTR2C (0.49) HTR2CKDM4EALDH1A1LMNAHIF1A
SCHEMBL11204173 0.76 HTR2C (0.47) HTR2CKDM4EALDH1A1LMNAHIF1A
SCHEMBL11290490 0.74 HTR2C (0.53) HTR2CHTR2AHRH1USP2SMN1; SMN2
SCHEMBL11280239 0.72 HTR2C (0.64) HTR2CHTR2AHRH1USP2SMN1; SMN2
SCHEMBL10512778 0.72 HTR2C (0.68) HTR2CHTR2AHRH1USP2SMN1; SMN2
SCHEMBL11286794 0.71 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 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