SCHEMBL11277831

SCHEMBL11277831

CCNc1nc(N2CCNCC2)nc2c1CCCC2

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.59
HTR2A P28223 3/20 0.48
IGF1R P08069 5/20 0.44
HRH1 P35367 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
VCP P55072 1/20 0.39
ALDH1A1 P00352 1/20 0.39
INSR P06213 1/20 0.39

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
SCHEMBL11286732 0.87 HTR2C (0.54) HTR2CHTR2AIGF1RHRH1KDM4E
SCHEMBL11286718 0.85 HTR2A (0.65) HTR2CHTR2AIGF1RHRH1KDM4E
SCHEMBL11290490 0.84 HTR2C (0.53) HTR2CHTR2AIGF1RHRH1KDM4E
SCHEMBL11279746 0.82 HTR2A (0.65) HTR2CHTR2AIGF1RHRH1KDM4E
SCHEMBL11287087 0.81 VCP (0.40) HTR2CHTR2AIGF1RKDM4EHPGD
SCHEMBL11204214 0.77 KDM4E (0.53) HTR2CKDM4EHPGDUSP2SMN1; SMN2
SCHEMBL10512778 0.77 HTR2C (0.68) HTR2CHTR2AIGF1RHRH1KDM4E
SCHEMBL11392176 0.77 HTR2C (0.72) HTR2CHTR2AHRH1KDM4EHPGD
SCHEMBL11206910 0.76 KDM4E (0.52) HTR2CKDM4EHPGDUSP2SMN1; SMN2
SCHEMBL11284926 0.76 HTR2A (0.67) HTR2CHTR2AHRH1KDM4EHPGD

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