SCHEMBL11285166

SCHEMBL11285166

O=CN1CCN(c2nc3c(c(NCCO)n2)CCCC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
VCP P55072 4/20 0.38
GBA1 P04062 4/20 0.38
POLB P06746 1/20 0.38
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ACHE P22303 2/20 0.36
IGF1R P08069 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR9 Q9NR96 1/20 0.35
APP P05067 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL11285202 0.86 VCP (0.37) KDM4EVCPPOLBACHEIGF1R
SCHEMBL11287087 0.85 VCP (0.40) KDM4EVCPGBA1POLBIGF1R
SCHEMBL11290490 0.81 HTR2C (0.53) KDM4EVCPIGF1RHPGDSMN1; SMN2
SCHEMBL11290046 0.81 HTR2A (0.51) KDM4EGBA1HTR3AIGF1RHPGD
SCHEMBL11197580 0.79 ALDH1A1 (0.57) KDM4EALOX15POLBHPGDSMN1; SMN2
SCHEMBL11288197 0.79 HTR2A (0.51) KDM4EGBA1HTR3AIGF1RHPGD
SCHEMBL11203500 0.79 ALDH1A1 (0.56) KDM4EALOX15POLBHPGDSMN1; SMN2
SCHEMBL11197698 0.77 ALDH1A1 (0.55) KDM4EALOX15POLBHPGDSMN1; SMN2
SCHEMBL11289281 0.76 HTR2A (0.39) KDM4EGBA1ACHEHPGDSMN1; SMN2
SCHEMBL11288329 0.76 GBA1 (0.53) KDM4EGBA1HPGDSMN1; SMN2HSD17B10

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