SCHEMBL3639902

SCHEMBL3639902

CCOc1cc(CN2CCC(N(c3nc(-c4cccc(OC)c4)co3)N(c3nc(-c4cccc(OC)c4)co3)C3CCN(Cc4cc(OCC)c(Cl)c(OCC)c4)CC3)CC2)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 12/20 0.42
WNK1 Q9H4A3 2/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH1 P35367 2/20 0.37
HTR2B P41595 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SSTR1 P30872 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL3634957 0.82 SSTR5 (0.42) SSTR5WNK1HRH1HTR2BDRD2
SCHEMBL3639410 0.82 SSTR5 (0.49) SSTR5
SCHEMBL5007394 0.80 SSTR5 (0.59) SSTR5HRH1HTR2B
SCHEMBL3634853 0.79 SSTR5 (0.51) SSTR5HRH1HTR2BSSTR1
SCHEMBL3631514 0.79 SSTR5 (0.42) SSTR5HRH1HTR2BSSTR1UTS2R
SCHEMBL3639957 0.78 SSTR5 (0.52) SSTR5
SCHEMBL3635691 0.76 SSTR5 (0.46) SSTR5
SCHEMBL3725485 0.72 SSTR5 (0.48) SSTR5HRH1HTR2BSSTR1
SCHEMBL3639689 0.71 SSTR5 (0.58) SSTR5HRH1HTR2B
SCHEMBL3637751 0.69 SSTR5 (0.57) SSTR5HRH1HTR2BSSTR1

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-2155718-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008148710-A2 ARYLOXAZOLE, ARYLOXADIAZOLE AND BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF SOMATOSTATINS RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-12-11 WO disclosed