SCHEMBL651024

SCHEMBL651024

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.36
HTT P42858 1/20 0.35
CRHR1 P34998 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 2/20 0.34
PDE4B Q07343 1/20 0.34
NR1H3 Q13133 1/20 0.33
BCHE P06276 1/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 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
SCHEMBL1915566 0.96 C5AR1 (0.45) C5AR1TSHRACHEHTTCRHR1
SCHEMBL650018 0.94 C5AR1 (0.46) C5AR1TSHRHTTCRHR1KDM4E
SCHEMBL650719 0.93 C5AR1 (0.43) C5AR1TSHRHTTKDM4EALDH1A1
SCHEMBL1915352 0.92 C5AR1 (0.42) C5AR1TSHR
SCHEMBL649773 0.92 C5AR1 (0.42) C5AR1TSHRHTTALDH1A1HSD17B10
SCHEMBL5134962 0.91 C5AR1 (0.48) C5AR1TSHRHTTCRHR1KDM4E
SCHEMBL648508 0.90 C5AR1 (0.50) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL648292 0.90 CRHR1 (0.42) C5AR1TSHRACHECRHR1
SCHEMBL649709 0.89 C5AR1 (0.50) C5AR1TSHRACHEKDM4EALDH1A1
SCHEMBL1915416 0.89 C5AR1 (0.64) C5AR1TSHRKDM4EALDH1A1HSD17B10

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