SCHEMBL11280428

SCHEMBL11280428

O=CN1CCN(c2nc3c(c(N4CCOCC4)n2)CCC3)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 4/20 0.56
HTR2C P28335 2/20 0.53
HPGD P15428 2/20 0.52
GBA1 P04062 5/20 0.47
TSHR P16473 1/20 0.41
PIK3R1 P27986 2/20 0.41
PIK3CA P42336 2/20 0.41
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL11291337 0.97 KDM4E (0.56) ALDH1A1KDM4EHTR2CHPGDGBA1
SCHEMBL11288329 0.87 GBA1 (0.53) ALDH1A1KDM4EHTR2CHPGDGBA1
SCHEMBL11103525 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EHTR2CHPGDTSHR
SCHEMBL11281402 0.80 HTR2C (0.67) ALDH1A1KDM4EHTR2CHPGDGBA1
SCHEMBL11285357 0.80 HTR2C (0.74) ALDH1A1KDM4EHTR2CHPGDGBA1
SCHEMBL11284575 0.77 HTR2C (0.67) ALDH1A1KDM4EHTR2CHPGDGBA1
SCHEMBL11282863 0.77 KDM4E (0.41) ALDH1A1KDM4EHTR2CHPGDGBA1
SCHEMBL11396657 0.75 HTR2C (0.60) ALDH1A1KDM4EHTR2CHPGDGBA1
SCHEMBL11285567 0.74 KDM4E (0.41) ALDH1A1KDM4EHTR2CHPGDGBA1
SCHEMBL11288197 0.74 HTR2A (0.51) ALDH1A1KDM4EHTR2CHPGDGBA1

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