SCHEMBL3938668

SCHEMBL3938668

COc1ccc(CN2CCC(N(c3nc(Cl)nc(Cl)c3Cl)N(c3nc(Cl)nc(Cl)c3Cl)C3CCN(Cc4cc(OC(C)C)cc(OC(C)C)c4)CC3)CC2)cc1OCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.45
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
TP53 P04637 2/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALK Q9UM73 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCHE P06276 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
SCHEMBL3939333 0.81 SSTR5 (0.47) SSTR5ALDH1A1NPSR1HRH1HTR2B
SCHEMBL1748889 0.76 SSTR5 (0.61) SSTR5ACHEHRH1HTR2B
SCHEMBL1748836 0.71 SSTR5 (0.62) SSTR5ACHEHRH1HTR2B
SCHEMBL3938243 0.70 SSTR5 (0.42) SSTR5DRD2DRD4DRD3DRD1
SCHEMBL1748317 0.70 SSTR5 (0.61) SSTR5ACHEHRH1HTR2B
SCHEMBL1748840 0.68 SSTR5 (0.55) SSTR5DRD2DRD4ALDH1A1ACHE
SCHEMBL1748426 0.67 SSTR5 (0.59) SSTR5ACHEHRH1HTR2BKMT2A
SCHEMBL1748315 0.67 SSTR5 (0.57) SSTR5SIGMAR1TP53NPSR1ACHE
SCHEMBL1748848 0.66 SSTR5 (0.61) SSTR5HRH1HTR2B
SCHEMBL1926149 0.66 SSTR5 (0.56) SSTR5SIGMAR1ACHEHRH1HTR2B

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