SCHEMBL651094

SCHEMBL651094

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
C5AR1 P21730 1/20 0.49
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 5/20 0.42
NR1H3 Q13133 1/20 0.42
PDE4B Q07343 2/20 0.41
HSD11B1 P28845 2/20 0.40
CYP3A4 P08684 4/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5135922 0.96 C5AR1 (0.49) TSHRC5AR1KDM4EALDH1A1HPGD
SCHEMBL5073888 0.95 C5AR1 (0.48) TSHRC5AR1KDM4EALDH1A1HPGD
SCHEMBL5134746 0.95 C5AR1 (0.48) TSHRC5AR1KDM4EALDH1A1HPGD
SCHEMBL5137883 0.95 TSHR (0.48) TSHRC5AR1KDM4EALDH1A1HPGD
SCHEMBL5138025 0.94 C5AR1 (0.47) TSHRC5AR1KDM4EALDH1A1HPGD
SCHEMBL649161 0.94 C5AR1 (0.47) TSHRC5AR1KDM4EALDH1A1HPGD
SCHEMBL5136214 0.93 C5AR1 (0.47) TSHRC5AR1KDM4EALDH1A1HPGD
SCHEMBL5135825 0.93 C5AR1 (0.47) TSHRC5AR1KDM4EALDH1A1HPGD
SCHEMBL5134997 0.93 C5AR1 (0.47) TSHRC5AR1KDM4EALDH1A1HPGD
SCHEMBL5072370 0.93 C5AR1 (0.47) TSHRC5AR1KDM4EALDH1A1HPGD

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