SCHEMBL650206

SCHEMBL650206

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
BCHE P06276 3/20 0.38
ALDH1A1 P00352 6/20 0.38
TSHR P16473 5/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CNR2 P34972 1/20 0.36
PDE4B Q07343 1/20 0.36
MAPK1 P28482 1/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL647724 0.94 C5AR1 (0.44) C5AR1ALDH1A1TSHRKDM4EGAA
SCHEMBL651365 0.92 C5AR1 (0.46) C5AR1BCHEALDH1A1TSHRKDM4E
SCHEMBL650460 0.92 C5AR1 (0.40) C5AR1BCHEALDH1A1TSHRKDM4E
SCHEMBL5072205 0.92 C5AR1 (0.46) C5AR1BCHEALDH1A1TSHRKDM4E
SCHEMBL5136291 0.91 C5AR1 (0.45) C5AR1BCHEALDH1A1TSHRKDM4E
SCHEMBL650679 0.90 C5AR1 (0.43) C5AR1ALDH1A1TSHRKDM4EGAA
SCHEMBL5134952 0.90 C5AR1 (0.44) C5AR1BCHEALDH1A1TSHRKDM4E
SCHEMBL5136185 0.90 C5AR1 (0.44) C5AR1BCHEALDH1A1TSHRKDM4E
SCHEMBL5135647 0.89 C5AR1 (0.43) C5AR1BCHEALDH1A1TSHRKDM4E
SCHEMBL5135582 0.89 ATP4A (0.44) C5AR1ALDH1A1TSHRKDM4EGAA

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