SCHEMBL651212

SCHEMBL651212

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.39
CA12 O43570 17/20 0.39
CA1 P00915 17/20 0.39
CA2 P00918 17/20 0.39
CA4 P22748 12/20 0.39
CA9 Q16790 10/20 0.39
DAGLA Q9Y4D2 1/20 0.36
MEP1B Q16820 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
SCHEMBL1912981 0.93 DAGLA (0.40) C5AR1CA12CA1CA2CA4
SCHEMBL653132 0.92 C5AR1 (0.40) C5AR1CA12CA1CA2CA4
SCHEMBL648222 0.91 C5AR1 (0.43) C5AR1MEP1B
SCHEMBL649414 0.91 CA2 (0.41) C5AR1CA12CA1CA2CA4
SCHEMBL648790 0.91 C5AR1 (0.43) C5AR1DAGLAMEP1B
SCHEMBL648462 0.90 CA1 (0.42) C5AR1CA12CA1CA2CA4
SCHEMBL650095 0.89 C5AR1 (0.39) C5AR1CA12CA1CA2CA4
SCHEMBL650071 0.89 C5AR1 (0.37) C5AR1CA12CA1CA2CA4
SCHEMBL649804 0.89 C5AR1 (0.39) C5AR1CA12CA1CA2CA4
SCHEMBL649537 0.89 C5AR1 (0.38) C5AR1CA12CA1CA2CA4

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
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