SCHEMBL650670

SCHEMBL650670

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.46
CRHR1 P34998 6/20 0.38
TSHR P16473 2/20 0.38
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
HSD11B1 P28845 2/20 0.36
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP13 P45452 1/20 0.34
PDE4B Q07343 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL650883 0.94 C5AR1 (0.45) C5AR1CRHR1TSHRHSD11B1CYP11B2
SCHEMBL649437 0.93 C5AR1 (0.46) C5AR1CRHR1TSHRUBE2MDCUN1D1
SCHEMBL5134962 0.91 C5AR1 (0.48) C5AR1CRHR1TSHRHSD11B1KDM4E
SCHEMBL648079 0.89 C5AR1 (0.63) C5AR1TSHRUBE2MDCUN1D1KDM4E
SCHEMBL1912954 0.88 C5AR1 (0.45) C5AR1CRHR1TSHRUBE2MDCUN1D1
SCHEMBL651024 0.88 C5AR1 (0.47) C5AR1CRHR1TSHRHSD11B1KDM4E
SCHEMBL649330 0.88 C5AR1 (0.47) C5AR1CRHR1TSHRUBE2MDCUN1D1
SCHEMBL651006 0.87 C5AR1 (0.42) C5AR1CRHR1TSHRUBE2MDCUN1D1
SCHEMBL5136901 0.86 C5AR1 (0.46) C5AR1CRHR1TSHRHSD11B1KDM4E
SCHEMBL5072370 0.86 C5AR1 (0.47) C5AR1TSHRHSD11B1KDM4EALDH1A1

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