SCHEMBL651357

SCHEMBL651357

CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(OC(F)F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.37
CRHR1 P34998 14/20 0.37
MMP13 P45452 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL648908 0.96 CRHR1 (0.40) C5AR1CRHR1MMP13TSHR
SCHEMBL649943 0.95 C5AR1 (0.38) C5AR1CRHR1MMP13ALDH1A1HTT
SCHEMBL652274 0.92 CRHR1 (0.43) C5AR1CRHR1TSHR
SCHEMBL649785 0.92 CRHR1 (0.40) C5AR1CRHR1MMP13TSHRALDH1A1
SCHEMBL647601 0.92 C5AR1 (0.36) C5AR1CRHR1MMP13TSHRALDH1A1
SCHEMBL1913005 0.91 C5AR1 (0.42) C5AR1CRHR1MMP13TSHRALDH1A1
SCHEMBL648460 0.91 CRHR1 (0.41) C5AR1CRHR1MMP13TSHRALDH1A1
SCHEMBL652031 0.90 CRHR1 (0.34) C5AR1CRHR1TSHRHTT
SCHEMBL652438 0.89 CRHR1 (0.40) C5AR1CRHR1TSHRALDH1A1
SCHEMBL5134742 0.88 CRHR1 (0.37) C5AR1CRHR1MMP13TSHRALDH1A1

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