SCHEMBL1924965

SCHEMBL1924965

CC(C)Oc1cc(CN2CCC(Nc3cc(C(=O)O)nc(Cl)n3)CC2)cc(OC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.51
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
CXCR3 P49682 2/20 0.41
SSTR1 P30872 1/20 0.40
MCHR1 Q99705 2/20 0.39
FAAH O00519 1/20 0.39
LTA4H P09960 1/20 0.39
S1PR1 P21453 1/20 0.38

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
SCHEMBL1748419 0.92 SSTR5 (0.50) SSTR5ALDH1A1SIGMAR1CXCR3MCHR1
SCHEMBL1748534 0.87 SSTR5 (0.56) SSTR5ALDH1A1SIGMAR1CXCR3MCHR1
SCHEMBL28776967 0.87 SSTR5 (0.49) SSTR5ALDH1A1SIGMAR1CXCR3SSTR1
SCHEMBL1748681 0.87 SSTR5 (0.45) SSTR5ALDH1A1SIGMAR1CXCR3MCHR1
SCHEMBL1748820 0.85 SSTR5 (0.55) SSTR5ALDH1A1SIGMAR1CXCR3MCHR1
SCHEMBL28776964 0.85 SSTR5 (0.49) SSTR5ALDH1A1SIGMAR1CXCR3SSTR1
SCHEMBL1748412 0.83 SSTR5 (0.50) SSTR5ALDH1A1CXCR3MCHR1
SCHEMBL28944529 0.82 SSTR5 (0.45) SSTR5ALDH1A1SIGMAR1CXCR3SSTR1
SCHEMBL28944528 0.81 SSTR5 (0.45) SSTR5ALDH1A1SIGMAR1CXCR3SSTR1
SCHEMBL1748228 0.81 SSTR5 (0.56) SSTR5CXCR3FAAH

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-2044054-B1 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed