SCHEMBL5440260

SCHEMBL5440260

Cc1ccccc1CCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.65
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5497575 0.82 PTGDR2 (0.74) PTGDR2LMNASMN1; SMN2
SCHEMBL5404990 0.79 PTGDR2 (1.00) PTGDR2LMNASMN1; SMN2
SCHEMBL5397091 0.79 PTGDR2 (1.00) PTGDR2LMNASMN1; SMN2
SCHEMBL27622502 0.78 PTGDR2 (0.56) PTGDR2LMNASMN1; SMN2
SCHEMBL6274568 0.77 PTGDR2 (0.54) PTGDR2LMNA
SCHEMBL4131416 0.76 PTGDR2 (0.71) PTGDR2LMNASMN1; SMN2
SCHEMBL6648773 0.74 NPSR1 (0.61) PTGDR2LMNASMN1; SMN2
SCHEMBL5504172 0.74 PTGDR2 (0.56) PTGDR2LMNASMN1; SMN2
SCHEMBL4130883 0.74 PTGDR2 (0.71) PTGDR2LMNASMN1; SMN2
SCHEMBL5397186 0.73 PTGDR2 (0.67) PTGDR2LMNASMN1; SMN2

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
US-7220760-B2 Quinoline derivatives as CRTH2 antagonists PFIZER INC. (US) 2007-05-22 US claimed