SCHEMBL648619

SCHEMBL648619

CCCCn1c(-c2ccccc2)nc(Cl)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.40
AGTR2 P50052 3/20 0.40
PIN1 Q13526 3/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
PLA2G4A P47712 1/20 0.38
DAGLA Q9Y4D2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL1913031 0.93 TSHR (0.40) DAGLAALDH1A1HTT
SCHEMBL648626 0.89 PIN1 (0.38) PIN1LPAR1LPAR5PLA2G4ADAGLA
SCHEMBL1912873 0.89 CRHR1 (0.39) ALDH1A1
SCHEMBL650123 0.86 C5AR1 (0.39) DAGLAALDH1A1HTT
SCHEMBL648961 0.84 TLR7 (0.36) ALDH1A1HTT
SCHEMBL651033 0.84 C5AR1 (0.44) DAGLAALDH1A1HTT
SCHEMBL1913047 0.84 ALDH1A1 (0.36) DAGLAALDH1A1HTT
SCHEMBL651001 0.83 CRHR1 (0.38) PIN1LPAR1LPAR5
SCHEMBL5138076 0.83 AGTR1 (0.36) AGTR1AGTR2PIN1PLA2G4A
SCHEMBL651956 0.83 C5AR1 (0.43) DAGLAALDH1A1HTT

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