SCHEMBL3938243

SCHEMBL3938243

CCOc1cc(CN2CCC(N(c3cc(C)nc(Cl)n3)N(c3cc(C)nc(Cl)n3)C3CCN(Cc4cc(OC(C)C)cc(OC(C)C)c4)CC3)CC2)cc(OCC)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 14/20 0.42
SSTR1 P30872 2/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GMNN O75496 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
PMP22 Q01453 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PDE2A O00408 2/20 0.35
HRH1 P35367 2/20 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
SCHEMBL4700135 0.85 DRD2 (0.42) SSTR5SSTR1DRD2DRD4DRD3
SCHEMBL4003004 0.79 CYP3A4 (0.44) SSTR5SSTR1DRD2DRD4DRD3
SCHEMBL3933800 0.78 SSTR5 (0.44) SSTR5SSTR1HRH1HTR2B
SCHEMBL4701119 0.75 DRD2 (0.44) SSTR5DRD2DRD4DRD3ALDH1A1
SCHEMBL1748842 0.72 SSTR5 (0.53) SSTR5SSTR1HRH1HTR2B
SCHEMBL1748820 0.72 SSTR5 (0.55) SSTR5ALDH1A1SIGMAR1PDE2A
SCHEMBL3978562 0.70 SSTR5 (0.42) SSTR5SSTR1LMNAHRH1HTR2B
SCHEMBL3938668 0.70 SSTR5 (0.45) SSTR5DRD2DRD4DRD3ALDH1A1
SCHEMBL3999810 0.69 SSTR5 (0.49) SSTR5DRD2DRD4DRD3ALDH1A1
SCHEMBL3776433 0.69 SSTR5 (0.58) SSTR5SSTR1HRH1HTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 EP disclosed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed