SCHEMBL4227033

SCHEMBL4227033

CCOc1cc(CN2CCC(N(c3ncc4c(n3)C(C)(C)OC4(C)C)N(c3ncc4c(n3)C(C)(C)OC4(C)C)C3CCNCC3)CC2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 18/20 0.45
HRH1 P35367 6/20 0.45
HTR2B P41595 2/20 0.45
SSTR1 P30872 1/20 0.41
UTS2R Q9UKP6 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4224211 0.85 SSTR5 (0.36) SSTR5HRH1HTR2BALDH1A1
SCHEMBL4227031 0.83 SSTR5 (0.44) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4237355 0.82 SSTR5 (0.49) SSTR5HRH1HTR2BSSTR1UTS2R
SCHEMBL4226457 0.82 SSTR5 (0.31) SSTR5
SCHEMBL3771895 0.82 SSTR5 (0.57) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4234146 0.82 SSTR5 (0.39) SSTR5HRH1HTR2BKCNH2
SCHEMBL4227035 0.79 SSTR5 (0.40) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL4234809 0.78 SSTR5 (0.44) SSTR5HRH1HTR2BSSTR1UTS2R
SCHEMBL4237976 0.75 SLC2A1 (0.46) SSTR5HRH1HTR2BSSTR1
SCHEMBL4958186 0.74 SSTR5 (0.51) SSTR5HRH1HTR2BSSTR1UTS2R

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