SCHEMBL648376

SCHEMBL648376

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.38
CA12 O43570 11/20 0.38
CA1 P00915 11/20 0.38
CA4 P22748 3/20 0.38
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
CA9 Q16790 2/20 0.37
CRHR1 P34998 2/20 0.36
TRPM8 Q7Z2W7 2/20 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
SCHEMBL651116 0.93 CRHR1 (0.41) CA2CA12CA1CA4PTGS2
SCHEMBL651162 0.89 CRHR1 (0.46) CA2CA12CA1CA4PTGS2
SCHEMBL1913035 0.88 CRHR1 (0.39) CA2CA12CA1CA4PTGS2
SCHEMBL649971 0.88 CA12 (0.38) CA2CA12CA1CA4PTGS2
SCHEMBL652723 0.86 DAGLA (0.39) CA2CA12CA1CA4PTGS2
SCHEMBL1913047 0.85 ALDH1A1 (0.36) CRHR1TRPM8
SCHEMBL5134923 0.84 CA12 (0.41) CA2CA12CA1CA4CA9
SCHEMBL649553 0.84 CRHR1 (0.37) CA2CA12CA1CA4PTGS2
SCHEMBL649884 0.84 CA1 (0.41) CA2CA12CA1CA4PTGS2
SCHEMBL647850 0.84 C5AR1 (0.42) CA2CA12CA1CA4PTGS2

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