SCHEMBL11280239

SCHEMBL11280239

Nc1nc(N2CCNCC2)nc2c1CCCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.64
HRH1 P35367 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
ACHE P22303 2/20 0.44
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
BPTF Q12830 1/20 0.43
HTR2A P28223 4/20 0.42
ALDH1A1 P00352 2/20 0.42
APAF1 O14727 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL11282952 0.98 HTR2C (0.62) HTR2CHRH1SMN1; SMN2USP2TDP1
Hydrochloric Acid SCHEMBL11292638 0.98 HTR2C (0.62) HTR2CHRH1SMN1; SMN2USP2TDP1
SCHEMBL11292336 0.97 HTR2C (0.60) HTR2CHRH1SMN1; SMN2USP2TDP1
SCHEMBL11283262 0.81 KMT2A (0.50) HTR2CKDM4EHPGDACHEMEN1
SCHEMBL10512778 0.81 HTR2C (0.68) HTR2CHRH1SMN1; SMN2USP2TDP1
SCHEMBL11286794 0.79 HTR2C (0.62) HTR2CHRH1SMN1; SMN2USP2TDP1
SCHEMBL11393857 0.78 HTR2C (1.00) HTR2CHRH1SMN1; SMN2USP2TDP1
SCHEMBL11285108 0.78 HTR2C (0.67) HTR2CHRH1SMN1; SMN2USP2TDP1
SCHEMBL11286718 0.77 HTR2A (0.65) HTR2CHRH1SMN1; SMN2USP2TDP1
SCHEMBL11285567 0.77 KDM4E (0.41) HTR2CSMN1; SMN2KDM4EHPGDACHE

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