SCHEMBL5633469

SCHEMBL5633469

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(CC(=O)O)cc1)Cc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 12/20 0.41
CA1 P00915 11/20 0.41
CA2 P00918 11/20 0.41
C5AR1 P21730 1/20 0.40
CA4 P22748 4/20 0.40
LDHA P00338 1/20 0.39
RORC P51449 3/20 0.37
CA9 Q16790 1/20 0.37
PTGS2 P35354 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL5134923 0.91 CA12 (0.41) CA12CA1CA2C5AR1CA4
SCHEMBL5136767 0.91 C5AR1 (0.41) CA12CA1CA2C5AR1CA4
SCHEMBL647835 0.88 C5AR1 (0.42) CA12CA1CA2C5AR1CA4
SCHEMBL649150 0.88 C5AR1 (0.41) CA12CA1CA2C5AR1CA4
SCHEMBL650800 0.88 C5AR1 (0.45) CA12CA1CA2C5AR1CA4
SCHEMBL5138126 0.88 CA2 (0.41) CA12CA1CA2C5AR1CA4
SCHEMBL652063 0.86 C5AR1 (0.40) CA12CA1CA2C5AR1CA4
SCHEMBL649773 0.86 C5AR1 (0.42) CA12CA1CA2C5AR1CA4
SCHEMBL1912981 0.85 DAGLA (0.40) CA12CA1CA2C5AR1CA4
SCHEMBL1912982 0.85 TRPM8 (0.44) C5AR1PTGS2

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-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed