SCHEMBL648158

SCHEMBL648158

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(C(F)(F)F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
TSHR P16473 2/20 0.37
CRHR1 P34998 5/20 0.36
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
HSD11B1 P28845 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4B Q07343 2/20 0.33
NR1H3 Q13133 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL650635 0.93 C5AR1 (0.41) C5AR1TSHRCRHR1UBE2MDCUN1D1
SCHEMBL651878 0.92 C5AR1 (0.40) C5AR1TSHRCRHR1HSD11B1KDM4E
SCHEMBL5134835 0.89 C5AR1 (0.44) C5AR1TSHRCRHR1HSD11B1KDM4E
SCHEMBL651337 0.88 C5AR1 (0.60) C5AR1TSHRUBE2MDCUN1D1KDM4E
SCHEMBL651879 0.87 C5AR1 (0.43) C5AR1TSHRCRHR1UBE2MDCUN1D1
SCHEMBL648114 0.86 C5AR1 (0.43) C5AR1TSHRCRHR1UBE2MDCUN1D1
SCHEMBL650670 0.86 C5AR1 (0.46) C5AR1TSHRCRHR1UBE2MDCUN1D1
SCHEMBL647986 0.86 C5AR1 (0.43) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL648934 0.86 CCR4 (0.40) C5AR1TSHRCRHR1UBE2MDCUN1D1
SCHEMBL651094 0.85 TSHR (0.50) 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 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