SCHEMBL651627

SCHEMBL651627

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(C(=O)O)cc1)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.42
CRHR1 P34998 9/20 0.39
LTB4R2 Q9NPC1 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
ALOX5 P09917 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
C5AR1 P21730 1/20 0.36
MDM2 Q00987 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL651032 0.94 CRHR1 (0.38) PTGESCRHR1LTB4R2C5AR1HDAC1
SCHEMBL650668 0.92 AGTR1 (0.38) PTGESCRHR1C5AR1HDAC1HDAC6
SCHEMBL5137681 0.90 PTGES (0.44) PTGESLTB4R2LPAR1LPAR5ALOX5
SCHEMBL1913039 0.87 CRHR1 (0.47) CRHR1LTB4R2LPAR1LPAR5C5AR1
SCHEMBL650027 0.84 CRHR1 (0.40) CRHR1LTB4R2LPAR1LPAR5C5AR1
SCHEMBL649536 0.84 CRHR1 (0.41) CRHR1C5AR1
SCHEMBL5135054 0.83 C5AR1 (0.40) PTGESLTB4R2LPAR1LPAR5C5AR1
SCHEMBL651125 0.83 CRHR1 (0.39) CRHR1C5AR1
SCHEMBL651341 0.83 CRHR1 (0.42) CRHR1LTB4R2LPAR1LPAR5C5AR1
SCHEMBL5134723 0.83 C5AR1 (0.42) CRHR1C5AR1MDM2

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 6 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
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