SCHEMBL11289281

SCHEMBL11289281

O=CN1CCN(c2nc3c(c(N(CCO)CCO)n2)CCCC3)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 2/20 0.36
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
GBA1 P04062 2/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.32
HIF1A Q16665 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32
ACHE P22303 1/20 0.32
SLC29A1 Q99808 5/20 0.32
RAB9A P51151 1/20 0.31
MEN1 O00255 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL11286796 0.85 HTR2A (0.54) HTR2AHTR2CKDM4EHPGDSMN1; SMN2
SCHEMBL11283943 0.82 HTR2C (0.52) HTR2AHTR2CKDM4EHPGDSMN1; SMN2
SCHEMBL11288596 0.81 HTR2C (0.53) HTR2AHTR2CKDM4EHPGDSMN1; SMN2
SCHEMBL11202515 0.79 MEN1 (0.38) KDM4EHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL11200250 0.79 ALDH1A1 (0.37) KDM4EHPGDSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL11201344 0.77 PARP1 (0.39) KDM4EHPGDSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL11285166 0.76 KDM4E (0.39) KDM4EHPGDSMN1; SMN2HSD17B10GBA1
SCHEMBL11285567 0.74 KDM4E (0.41) HTR2CKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL11284746 0.73 HSD17B10 (0.42) HTR2CKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL11288329 0.73 GBA1 (0.53) HTR2AHTR2CKDM4EHPGDSMN1; 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