SCHEMBL649553

SCHEMBL649553

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.37
RORC P51449 1/20 0.35
C5AR1 P21730 1/20 0.35
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
CA12 O43570 6/20 0.33
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
PDPK1 O15530 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CA4 P22748 2/20 0.33

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
SCHEMBL649778 0.91 C5AR1 (0.40) RORCC5AR1CA12CA1CA2
SCHEMBL651116 0.88 CRHR1 (0.41) CRHR1C5AR1PTGS2PTGS1CA12
SCHEMBL1913035 0.86 CRHR1 (0.39) CRHR1C5AR1PTGS2PTGS1CA12
SCHEMBL651162 0.84 CRHR1 (0.46) CRHR1RORCC5AR1PTGS2PTGS1
SCHEMBL648376 0.84 CA2 (0.38) CRHR1PTGS2PTGS1CA12CA1
SCHEMBL649971 0.83 CA12 (0.38) CRHR1C5AR1PTGS2PTGS1CA12
SCHEMBL1915460 0.83 CRHR1 (0.42) CRHR1C5AR1
SCHEMBL1913036 0.82 C5AR1 (0.55) CRHR1C5AR1PTGS2PTGS1CA12
SCHEMBL652723 0.81 DAGLA (0.39) CRHR1C5AR1PTGS2PTGS1CA12
SCHEMBL5136767 0.81 C5AR1 (0.41) C5AR1PTGS2PTGS1CA12CA1

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