SCHEMBL4960185

SCHEMBL4960185

O=C1CC2(C(=O)N1)C(=O)N(Cc1cc(F)ccc1F)c1ccc(Cl)cc12

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.63
AKR1B1 P15121 3/20 0.52
AKR1B10 O60218 1/20 0.52
AKR1A1 P14550 1/20 0.52

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
SCHEMBL4961366 0.95 PTGDR2 (0.61) PTGDR2AKR1B1
SCHEMBL4960118 0.93 PTGDR2 (0.64) PTGDR2AKR1B1AKR1B10AKR1A1
SCHEMBL4958321 0.93 AKR1B1 (0.58) PTGDR2AKR1B1AKR1B10AKR1A1
SCHEMBL4961382 0.91 PTGDR2 (0.54) PTGDR2AKR1B1AKR1B10AKR1A1
SCHEMBL4962605 0.85 PTGDR2 (0.62) PTGDR2AKR1B1
SCHEMBL4962400 0.84 PTGDR2 (0.53) PTGDR2AKR1B1
SCHEMBL4958399 0.84 AKR1B1 (0.51) PTGDR2AKR1B1
SCHEMBL4961232 0.84 PTGDR2 (0.63) PTGDR2AKR1B1
SCHEMBL10974094 0.81 PTGDR2 (0.61) PTGDR2AKR1B1
SCHEMBL4960642 0.81 PTGDR2 (0.60) PTGDR2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891075-A1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS LABORATOIRES SERONO S.A. (CH) 2008-02-27 EP claimed
WO-2006125784-A1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS LABORATOIRES SERONO S.A. (CH) 2006-11-30 WO claimed
EP-1891075-A1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS LABORATOIRES SERONO S.A. (CH) 2008-02-27 EP disclosed
WO-2006125784-A1 TRICYCLIC SPIRO DERIVATIVES AS CRTH2 MODULATORS LABORATOIRES SERONO S.A. (CH) 2006-11-30 WO disclosed