SCHEMBL4237355

SCHEMBL4237355

CCOc1cc(CN2CCC(N(c3ncccn3)N(c3ncccn3)C3CCNCC3)CC2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.49
HRH1 P35367 2/20 0.49
HTR2B P41595 1/20 0.49
SSTR1 P30872 1/20 0.47
KCNH2 Q12809 2/20 0.45
UTS2R Q9UKP6 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
HTR7 P34969 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL4232088 0.89 SSTR5 (0.44) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4234809 0.89 SSTR5 (0.44) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4232885 0.85 SSTR5 (0.46) SSTR5HRH1SSTR1KCNH2ALDH1A1
SCHEMBL4232220 0.85 SSTR5 (0.46) SSTR5HRH1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL4236623 0.85 SSTR5 (0.41) SSTR5KCNH2UTS2RALDH1A1SMN1; SMN2
SCHEMBL4957097 0.85 SSTR5 (0.52) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4958186 0.85 SSTR5 (0.51) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4233908 0.82 SSTR5 (0.44) SSTR5HRH1HTR2BKCNH2ALDH1A1
SCHEMBL4227033 0.82 SSTR5 (0.45) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4237976 0.82 SLC2A1 (0.46) SSTR5HRH1HTR2BSSTR1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed