SCHEMBL4960642

SCHEMBL4960642

O=C1CC2(C(=O)N1)C(=O)N(Cc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc12

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.60
AKR1B1 P15121 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
SCHEMBL10974094 0.91 PTGDR2 (0.61) PTGDR2AKR1B1
SCHEMBL4962605 0.90 PTGDR2 (0.62) PTGDR2AKR1B1
SCHEMBL4960661 0.87 PTGDR2 (0.51) PTGDR2AKR1B1
SCHEMBL4961232 0.86 PTGDR2 (0.63) PTGDR2AKR1B1
SCHEMBL4958399 0.85 AKR1B1 (0.51) PTGDR2AKR1B1
SCHEMBL4962400 0.85 PTGDR2 (0.53) PTGDR2AKR1B1
SCHEMBL4961366 0.84 PTGDR2 (0.61) PTGDR2AKR1B1
SCHEMBL4960185 0.81 PTGDR2 (0.63) PTGDR2AKR1B1
SCHEMBL4394762 0.81 PTGDR2 (0.67) PTGDR2
SCHEMBL10978203 0.81 SCN9A (0.54)

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-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