SCHEMBL648986

SCHEMBL648986

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1cc(Cl)c(OC)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
TSHR P16473 3/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CRHR1 P34998 2/20 0.36
CASR P41180 1/20 0.35
MAPK1 P28482 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
TLR7 Q9NYK1 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4B Q07343 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 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
SCHEMBL648345 0.94 C5AR1 (0.42) C5AR1TSHRMEN1KMT2ACRHR1
SCHEMBL647724 0.90 C5AR1 (0.44) C5AR1TSHRMEN1KMT2ACRHR1
SCHEMBL648442 0.89 C5AR1 (0.45) C5AR1TSHRMEN1KMT2ACRHR1
SCHEMBL1912889 0.89 C5AR1 (0.44) C5AR1TSHRCRHR1KDM4EALDH1A1
SCHEMBL1912975 0.87 TSHR (0.49) C5AR1TSHRCRHR1MAPK1KDM4E
SCHEMBL651094 0.87 TSHR (0.50) C5AR1TSHRMAPK1KDM4EALDH1A1
SCHEMBL5135905 0.86 C5AR1 (0.45) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL5072205 0.85 C5AR1 (0.46) C5AR1TSHRMEN1KMT2AKDM4E
SCHEMBL650206 0.85 C5AR1 (0.43) C5AR1TSHRMAPK1KDM4EALDH1A1
SCHEMBL5135825 0.85 C5AR1 (0.47) C5AR1TSHRCRHR1KDM4EALDH1A1

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