SCHEMBL651001

SCHEMBL651001

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(=O)O)cc1)Cc1cccc(OC(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.38
MEP1B Q16820 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.36
C5AR1 P21730 1/20 0.36
PTGES O14684 2/20 0.36
ALOX5 P09917 2/20 0.36
MDM2 Q00987 1/20 0.35
PIN1 Q13526 4/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
TRPM8 Q7Z2W7 1/20 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
SCHEMBL652150 0.94 CRHR1 (0.38) CRHR1TAS2R14C5AR1PTGESALOX5
SCHEMBL651093 0.94 CRHR1 (0.37) CRHR1MEP1BC5AR1MDM2TRPM8
SCHEMBL648626 0.94 PIN1 (0.38) CRHR1MDM2PIN1LPAR1LPAR5
SCHEMBL652145 0.93 TLR7 (0.38) CRHR1MEP1BC5AR1
SCHEMBL5220455 0.93 AGTR1 (0.37) CRHR1MEP1BC5AR1MDM2
SCHEMBL1913045 0.92 SMN1; SMN2 (0.41) CRHR1MEP1BTAS2R14C5AR1PTGES
SCHEMBL647849 0.89 CRHR1 (0.38) CRHR1C5AR1MDM2
SCHEMBL650193 0.89 CRHR1 (0.40) CRHR1C5AR1
SCHEMBL1913047 0.88 ALDH1A1 (0.36) CRHR1C5AR1MDM2TRPM8
SCHEMBL651143 0.88 CRHR1 (0.37) CRHR1C5AR1TRPM8

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 8 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
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