SCHEMBL648462

SCHEMBL648462

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(S(N)(=O)=O)cc1)Cc1cccc(OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.42
CA2 P00918 18/20 0.42
CA12 O43570 17/20 0.42
CA9 Q16790 14/20 0.42
CA4 P22748 14/20 0.42
C5AR1 P21730 1/20 0.41
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 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
SCHEMBL649414 0.93 CA2 (0.41) CA1CA2CA12CA9CA4
SCHEMBL649258 0.91 C5AR1 (0.45) C5AR1MAPT
SCHEMBL649884 0.91 CA1 (0.41) CA1CA2CA12CA9CA4
SCHEMBL651212 0.90 C5AR1 (0.39) CA1CA2CA12CA9CA4
SCHEMBL653132 0.88 C5AR1 (0.40) CA1CA2CA12CA9CA4
SCHEMBL652044 0.88 C5AR1 (0.43) C5AR1MAPT
SCHEMBL1914664 0.88 C5AR1 (0.43) C5AR1MAPT
SCHEMBL650569 0.87 C5AR1 (0.44) C5AR1MAPT
SCHEMBL649417 0.87 C5AR1 (0.43) C5AR1MAPT
SCHEMBL5138126 0.87 CA2 (0.41) CA1CA2CA12CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed