SCHEMBL650071

SCHEMBL650071

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(S(N)(=O)=O)cc1)Cc1ccc(OC(F)F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.37
DAGLA Q9Y4D2 4/20 0.35
RORC P51449 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CA12 O43570 7/20 0.33
CA1 P00915 7/20 0.33
CA2 P00918 7/20 0.33
CA4 P22748 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL651780 0.91 C5AR1 (0.40) C5AR1PPARGPPARA
SCHEMBL1912981 0.91 DAGLA (0.40) C5AR1DAGLARORCCA12CA1
SCHEMBL651212 0.89 C5AR1 (0.39) C5AR1DAGLACA12CA1CA2
SCHEMBL649778 0.87 C5AR1 (0.40) C5AR1RORCCA12CA1CA2
SCHEMBL652540 0.87 C5AR1 (0.40) C5AR1PPARGPPARA
SCHEMBL650048 0.86 C5AR1 (0.39) C5AR1PPARGPPARACYP3A4
SCHEMBL649537 0.85 C5AR1 (0.38) C5AR1RORCCA12CA1CA2
SCHEMBL650095 0.85 C5AR1 (0.39) C5AR1RORCCA12CA1CA2
SCHEMBL649804 0.84 C5AR1 (0.39) C5AR1RORCCA12CA1CA2
SCHEMBL647835 0.84 C5AR1 (0.42) 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 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