SCHEMBL1913005

SCHEMBL1913005

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.32
ATP4A P20648 2/20 0.31
ATP4B P51164 2/20 0.31
DAGLA Q9Y4D2 1/20 0.31
BACE1 P56817 2/20 0.31
CSF1R P07333 1/20 0.31
MMP13 P45452 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRM2 Q14416 1/20 0.31
P2RX3 P56373 1/20 0.31
CRHR1 P34998 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL651074 0.96 C5AR1 (0.43) C5AR1TSHRALDH1A1BCHEKDM4E
SCHEMBL5135869 0.93 C5AR1 (0.41) C5AR1TSHRALDH1A1KDM4EHPGD
SCHEMBL648409 0.93 C5AR1 (0.42) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL650548 0.92 C5AR1 (0.43) C5AR1TSHRALDH1A1BCHEATP4A
SCHEMBL651033 0.91 C5AR1 (0.44) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL651357 0.91 C5AR1 (0.37) C5AR1TSHRALDH1A1HTTMMP13
SCHEMBL652220 0.91 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL651956 0.91 C5AR1 (0.43) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL1912977 0.90 C5AR1 (0.42) C5AR1TSHRALDH1A1HTTLMNA
SCHEMBL650473 0.89 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTLMNA

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 7 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
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