SCHEMBL648135

SCHEMBL648135

CCCCN(Cc1ccc(C(=O)OC)cc1)Cc1c(C(F)(F)F)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.44
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
DRD2 P14416 1/20 0.39
TBXA2R P21731 1/20 0.39
AGTR1 P30556 1/20 0.38
TLR7 Q9NYK1 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1913086 0.96 AGTR1 (0.41) CRHR1LPAR1LPAR5DRD2TBXA2R
SCHEMBL652369 0.93 CRHR1 (0.40) CRHR1LPAR1LPAR5DRD2TBXA2R
SCHEMBL1913039 0.91 CRHR1 (0.47) CRHR1LPAR1LPAR5AGTR1PPARG
SCHEMBL650306 0.91 CRHR1 (0.38) CRHR1LPAR1LPAR5DRD2TBXA2R
SCHEMBL649162 0.90 CRHR1 (0.46) CRHR1AGTR1PPARGPPARA
SCHEMBL5135950 0.90 LPAR1 (0.42) LPAR1LPAR5DRD2TBXA2RAGTR1
SCHEMBL651310 0.89 NR1H4 (0.39) CRHR1LPAR1LPAR5DRD2TBXA2R
SCHEMBL650668 0.88 AGTR1 (0.38) CRHR1DRD2TBXA2RAGTR1ADORA2A
SCHEMBL1913027 0.87 CRHR1 (0.41) CRHR1AGTR1TLR7L3MBTL1PPARG
SCHEMBL648054 0.87 NR1H2 (0.39) CRHR1AGTR1TLR7PPARGPPARA

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