SCHEMBL11279746

SCHEMBL11279746

CNc1nc(N2CCNCC2)nc2c1CCC2

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.65
HTR2C P28335 3/20 0.59
IGF1R P08069 9/20 0.49
HRH1 P35367 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
INSR P06213 1/20 0.43
KHK P50053 1/20 0.42

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
SCHEMBL11286718 0.97 HTR2A (0.65) HTR2AHTR2CIGF1RHRH1USP2
SCHEMBL11277831 0.82 HTR2C (0.59) HTR2AHTR2CIGF1RHRH1USP2
SCHEMBL11288197 0.79 HTR2A (0.51) HTR2AHTR2CIGF1RKDM4EALDH1A1
SCHEMBL1620536 0.79 HTR2A (0.72) HTR2AHTR2CIGF1R
SCHEMBL11102793 0.78 HTR2A (0.47) HTR2AHTR2CIGF1RHRH1USP2
SCHEMBL11286732 0.78 HTR2C (0.54) HTR2AHTR2CIGF1RHRH1USP2
SCHEMBL11392104 0.78 HTR2C (0.94) HTR2AHTR2CIGF1RHRH1USP2
SCHEMBL10512778 0.77 HTR2C (0.68) HTR2AHTR2CIGF1RHRH1USP2
SCHEMBL11292336 0.77 HTR2C (0.60) HTR2AHTR2CIGF1RHRH1USP2
SCHEMBL11290490 0.77 HTR2C (0.53) HTR2AHTR2CIGF1RHRH1USP2

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