SCHEMBL4230352

SCHEMBL4230352

CCOc1cc(CN2CCC(N(c3ncc(-c4cccnc4)cn3)N(c3ncc(-c4cccnc4)cn3)C3CCNCC3)CC2)cc(OCC)c1N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 10/20 0.43
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 3/20 0.38
SSTR1 P30872 1/20 0.38
HRH1 P35367 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SSTR3 P32745 1/20 0.37
BACE1 P56817 1/20 0.36
MAP4K3 Q8IVH8 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
PIM1 P11309 1/20 0.35
CCR5 P51681 1/20 0.35
DYRK1A Q13627 1/20 0.34

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
SCHEMBL4233681 0.92 SSTR5 (0.41) SSTR5DRD2DRD4DRD3KCNH2
SCHEMBL4237973 0.92 SSTR5 (0.43) SSTR5DRD2DRD4DRD3KCNH2
SCHEMBL4232809 0.90 SSTR5 (0.41) SSTR5DRD2DRD4DRD3KCNH2
SCHEMBL4233363 0.89 SSTR5 (0.44) SSTR5DRD2DRD4DRD3KCNH2
SCHEMBL4225162 0.89 CYP19A1 (0.39) SSTR5DRD2DRD4DRD3HRH1
SCHEMBL4234809 0.89 SSTR5 (0.44) SSTR5DRD2DRD4DRD3KCNH2
SCHEMBL4231311 0.89 SSTR5 (0.48) SSTR5KCNH2HRH1
SCHEMBL4232885 0.88 SSTR5 (0.46) SSTR5DRD2DRD4DRD3KCNH2
SCHEMBL4235018 0.82 SSTR5 (0.41) SSTR5DRD2DRD4DRD3SLC6A2
SCHEMBL4230348 0.81 SSTR5 (0.43) SSTR5DRD2DRD4DRD3KCNH2

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