SCHEMBL11285357

SCHEMBL11285357

CN1CCN(c2nc3c(c(N4CCOCC4)n2)CCCC3)CC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.74
KDM4E B2RXH2 2/20 0.63
HPGD P15428 1/20 0.63
ALDH1A1 P00352 2/20 0.59
HTR2A P28223 2/20 0.55
HRH4 Q9H3N8 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PIK3R1 P27986 2/20 0.46
PIK3CA P42336 2/20 0.46
TLR9 Q9NR96 1/20 0.45
GBA1 P04062 4/20 0.45
TSHR P16473 1/20 0.44
HRH1 P35367 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL11278582 0.88 HTR2C (0.58) HTR2CKDM4EHPGDALDH1A1HTR2A
SCHEMBL11284575 0.83 HTR2C (0.67) HTR2CKDM4EHPGDALDH1A1HTR2A
SCHEMBL11291337 0.83 KDM4E (0.56) HTR2CKDM4EHPGDALDH1A1HTR2A
SCHEMBL11281402 0.81 HTR2C (0.67) HTR2CKDM4EHPGDALDH1A1HTR2A
SCHEMBL11280428 0.80 ALDH1A1 (0.56) HTR2CKDM4EHPGDALDH1A1HTR2A
SCHEMBL11102181 0.79 HTR2C (0.55) HTR2CKDM4EHPGDALDH1A1HTR2A
SCHEMBL1123586 0.76 HTR2C (0.57) HTR2CKDM4EHPGDALDH1A1HRH4
SCHEMBL605230 0.75 HRH4 (0.57) KDM4EALDH1A1HRH4HRH1HTR3E
SCHEMBL11283262 0.75 KMT2A (0.50) HTR2CKDM4EHPGDALDH1A1HTR2A
SCHEMBL11402503 0.74 HTR2C (0.71) HTR2CKDM4EHPGDALDH1A1HTR2A

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