SCHEMBL4220101

SCHEMBL4220101

C=CCOc1cc(CN2CCC(Nc3ncc(-c4ccccc4)cn3)CC2)ccc1OC.c1ccc(-c2cnc(NC3CCNCC3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
APP P05067 1/20 0.48
SSTR5 P35346 11/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
BACE1 P56817 1/20 0.45
MERTK Q12866 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
KDM1A O60341 2/20 0.42
EHMT2 Q96KQ7 2/20 0.42
RCOR1 Q9UKL0 2/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 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
SCHEMBL3769722 0.95 ACHE (0.55) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL4231445 0.85 APP (0.49) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3782856 0.85 SSTR5 (0.62) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL4231747 0.85 APP (0.49) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL4221954 0.85 APP (0.49) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL1878170 0.83 SSTR5 (0.51) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3773308 0.83 SSTR5 (0.64) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL4233983 0.82 SSTR5 (0.47) ACHESSTR5HRH1HTR2B
SCHEMBL4231286 0.81 SSTR5 (0.56) ACHESSTR5HRH1HTR2B
SCHEMBL4230567 0.81 SSTR5 (0.57) ACHESSTR5HRH1HTR2B

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