SCHEMBL647835

SCHEMBL647835

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
CA12 O43570 12/20 0.39
CA1 P00915 12/20 0.39
CA2 P00918 12/20 0.39
MEN1 O00255 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KMT2A Q03164 1/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 2/20 0.37
LDHA P00338 1/20 0.37
CA7 P43166 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 1/20 0.35

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
SCHEMBL5072450 0.92 C5AR1 (0.47) C5AR1KDM4E
SCHEMBL5138126 0.90 CA2 (0.41) C5AR1CA12CA1CA2MEN1
SCHEMBL651022 0.89 C5AR1 (0.45) C5AR1KDM4E
SCHEMBL5633469 0.88 CA12 (0.41) C5AR1CA12CA1CA2CA4
SCHEMBL5134923 0.88 CA12 (0.41) C5AR1CA12CA1CA2MEN1
SCHEMBL5136767 0.88 C5AR1 (0.41) C5AR1CA12CA1CA2CA4
SCHEMBL1912982 0.87 TRPM8 (0.44) C5AR1PTGS2
SCHEMBL1912981 0.87 DAGLA (0.40) C5AR1CA12CA1CA2CA4
SCHEMBL5135822 0.85 CA2 (0.41) C5AR1CA12CA1CA2CA4
SCHEMBL649150 0.85 C5AR1 (0.41) C5AR1CA12CA1CA2MEN1

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 8 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
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