SCHEMBL4234149

SCHEMBL4234149

C=CCOc1cc(CN2CCC(C3CC(N(N)c4ncc5c(n4)C(C)(C)OC5(C)C)CCN3c3ncc4c(n3)C(C)(C)OC4(C)C)CC2)ccc1OC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 19/20 0.34
HRH1 P35367 3/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 2/20 0.33
ACHE P22303 1/20 0.31

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
SCHEMBL4227035 0.84 SSTR5 (0.40) SSTR5HRH1HTR2BKCNH2
SCHEMBL4224213 0.81 SSTR5 (0.32) SSTR5HRH1HTR2B
SCHEMBL4234146 0.81 SSTR5 (0.39) SSTR5HRH1HTR2BKCNH2ACHE
SCHEMBL4234143 0.78 SSTR5 (0.38) SSTR5HRH1HTR2BKCNH2ACHE
SCHEMBL3778098 0.77 SSTR5 (0.46) SSTR5HRH1HTR2BKCNH2ACHE
SCHEMBL4956137 0.73 SSTR5 (0.48) SSTR5HRH1HTR2BACHE
Hydrochloric Acid SCHEMBL4375373 0.72 SSTR5 (0.40) SSTR5HRH1HTR2BKCNH2
SCHEMBL4231315 0.71 SSTR5 (0.43) SSTR5HRH1HTR2BKCNH2
SCHEMBL3776972 0.69 SSTR5 (0.56) SSTR5HRH1HTR2BKCNH2ACHE
SCHEMBL3770056 0.67 SSTR5 (0.58) SSTR5HRH1HTR2BKCNH2ACHE

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