SCHEMBL4230348

SCHEMBL4230348

CCOc1cc(CN2CCC(N(c3ncc(-c4cccnc4)cn3)C3CCN(Nc4ncc(-c5cccnc5)cn4)CC3)CC2)cc(OCC)c1N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.43
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
SSTR1 P30872 1/20 0.38
HRH1 P35367 1/20 0.38
BACE1 P56817 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
KCNH2 Q12809 2/20 0.35
SMO Q99835 1/20 0.35
CCR5 P51681 1/20 0.35
WNT1 P04628 1/20 0.34
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
SCHEMBL4233676 0.92 SSTR5 (0.41) SSTR5DRD2DRD4DRD3SSTR1
SCHEMBL4237972 0.92 SSTR5 (0.43) SSTR5DRD2DRD4DRD3BACE1
SCHEMBL4232806 0.90 SSTR5 (0.43) SSTR5DRD2DRD4DRD3HRH1
SCHEMBL4233361 0.90 SSTR5 (0.44) SSTR5DRD2DRD4DRD3SSTR1
SCHEMBL4225160 0.90 CYP11B1 (0.39) SSTR5DRD2DRD4DRD3HRH1
SCHEMBL4231309 0.89 SSTR5 (0.48) SSTR5HRH1BACE1KCNH2
SCHEMBL4234807 0.89 SSTR5 (0.45) SSTR5DRD2DRD4DRD3SSTR1
SCHEMBL4232882 0.86 SSTR5 (0.47) SSTR5DRD2DRD4DRD3SSTR1
SCHEMBL3773257 0.84 SSTR5 (0.55) SSTR5DRD2DRD4DRD3SSTR1
SCHEMBL4235014 0.83 SSTR5 (0.41) SSTR5DRD2DRD4DRD3BACE1

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