SCHEMBL4224985

SCHEMBL4224985

CCOc1cc(CN2CCC(Nc3nc(C)cc(C)n3)CC2)cc(OCC)c1Cl.Cc1cc(C)nc(NC2CCNCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.53
SSTR1 P30872 2/20 0.50
HRH1 P35367 2/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL3776433 0.94 SSTR5 (0.58) SSTR5SSTR1HRH1HTR2B
SCHEMBL4230425 0.90 SSTR5 (0.59) SSTR5SSTR1HRH1HTR2B
SCHEMBL4237604 0.90 SSTR5 (0.55) SSTR5HRH1HTR2B
SCHEMBL28781473 0.88 SSTR5 (0.49) SSTR5SSTR1HRH1HTR2B
SCHEMBL4238432 0.87 SSTR5 (0.46) SSTR5HRH1HTR2B
SCHEMBL4238563 0.87 SSTR5 (0.51) SSTR5HRH1HTR2B
SCHEMBL27758649 0.84 SSTR5 (0.49) SSTR5SSTR1HRH1HTR2B
SCHEMBL3785769 0.84 SSTR5 (0.65) SSTR5SSTR1HRH1HTR2B
SCHEMBL3779235 0.83 SSTR5 (0.61) SSTR5HRH1HTR2B
SCHEMBL4225536 0.82 SSTR5 (0.49) SSTR5SSTR1HRH1HTR2B

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