SCHEMBL651014

SCHEMBL651014

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OC(F)F)cc1)Cc1cc(C)c(OC(F)F)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
TSHR P16473 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
CRHR1 P34998 2/20 0.33
LMNA P02545 2/20 0.33
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
DAGLA Q9Y4D2 1/20 0.32
BACE1 P56817 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
HSD11B1 P28845 1/20 0.31
BCHE P06276 1/20 0.31
NR1H3 Q13133 1/20 0.30

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
SCHEMBL650460 0.95 C5AR1 (0.40) C5AR1TSHRALDH1A1HTTCRHR1
SCHEMBL650339 0.95 C5AR1 (0.41) C5AR1TSHRALDH1A1CRHR1KDM4E
SCHEMBL651033 0.93 C5AR1 (0.44) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL1915451 0.92 C5AR1 (0.41) C5AR1TSHRALDH1A1CRHR1KDM4E
SCHEMBL651956 0.92 C5AR1 (0.43) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL649711 0.91 CRHR1 (0.39) C5AR1TSHRALDH1A1HTTCRHR1
SCHEMBL648409 0.91 C5AR1 (0.42) C5AR1TSHRALDH1A1HTTCRHR1
SCHEMBL649675 0.91 C5AR1 (0.42) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL649952 0.91 C5AR1 (0.41) C5AR1TSHRALDH1A1CRHR1ATP4A
SCHEMBL648977 0.90 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTCRHR1

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