SCHEMBL647764

SCHEMBL647764

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc(OCC)c(OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
TSHR P16473 2/20 0.39
KDM4E B2RXH2 4/20 0.38
XBP1 P17861 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
S1PR1 P21453 1/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4B Q07343 1/20 0.36
THRB P10828 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
SCHEMBL5136072 0.94 C5AR1 (0.43) C5AR1TSHRKDM4EMAPTALDH1A1
SCHEMBL651447 0.94 C5AR1 (0.46) C5AR1TSHRKDM4EXBP1MAPT
SCHEMBL5072435 0.94 C5AR1 (0.46) C5AR1TSHRKDM4EXBP1MAPT
SCHEMBL650402 0.91 C5AR1 (0.41) C5AR1TSHRKDM4EXBP1MAPT
SCHEMBL651343 0.90 C5AR1 (0.47) C5AR1TSHRALDH1A1MEN1GAA
SCHEMBL5146342 0.89 C5AR1 (0.44) C5AR1KDM4EMEN1GAAKMT2A
SCHEMBL1912976 0.89 C5AR1 (0.64) C5AR1TSHRKDM4EMEN1KMT2A
SCHEMBL649713 0.88 C5AR1 (0.45) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL5135902 0.88 C5AR1 (0.42) C5AR1TSHRKDM4EMAPTALDH1A1
SCHEMBL649258 0.88 C5AR1 (0.45) C5AR1TSHRKDM4EMAPTALDH1A1

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