SCHEMBL4237972

SCHEMBL4237972

CCOc1cc(CN2CCC(N(c3ncc(-c4cccnc4)cn3)C3CCN(Nc4ncc(-c5cccnc5)cn4)CC3)CC2)cc(OCC)c1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 14/20 0.43
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 5/20 0.38
ACHE P22303 1/20 0.37
SSTR3 P32745 1/20 0.37
BACE1 P56817 2/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL4233676 0.92 SSTR5 (0.41) SSTR5DRD2DRD4DRD3KCNH2
SCHEMBL4230348 0.92 SSTR5 (0.43) SSTR5DRD2DRD4DRD3KCNH2
SCHEMBL4232806 0.90 SSTR5 (0.43) SSTR5DRD2DRD4DRD3KCNH2
SCHEMBL4233361 0.90 SSTR5 (0.44) SSTR5DRD2DRD4DRD3
SCHEMBL4225160 0.90 CYP11B1 (0.39) SSTR5DRD2DRD4DRD3ACHE
SCHEMBL4231309 0.89 SSTR5 (0.48) SSTR5KCNH2ACHEBACE1
SCHEMBL4234807 0.89 SSTR5 (0.45) SSTR5DRD2DRD4DRD3KCNH2
SCHEMBL4232216 0.86 SSTR5 (0.47) SSTR5KCNH2SSTR3
SCHEMBL3779116 0.84 SSTR5 (0.55) SSTR5KCNH2
SCHEMBL4235014 0.83 SSTR5 (0.41) SSTR5DRD2DRD4DRD3ACHE

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