SCHEMBL648091

SCHEMBL648091

CCCCN(Cc1cccc(OCC)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
BCHE P06276 6/20 0.43
ATP4A P20648 4/20 0.40
ATP4B P51164 4/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CRHR1 P34998 2/20 0.38
TSHR P16473 2/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL649258 0.94 C5AR1 (0.45) C5AR1BCHEMAPTPPARGPPARA
SCHEMBL650569 0.93 C5AR1 (0.44) C5AR1BCHEATP4AATP4BMAPT
SCHEMBL649417 0.93 C5AR1 (0.43) C5AR1BCHEMAPTPPARGPPARA
SCHEMBL650505 0.92 C5AR1 (0.43) C5AR1BCHEATP4AATP4BMAPT
SCHEMBL5135705 0.92 CALM1 (0.45) C5AR1BCHEATP4AATP4BMAPT
SCHEMBL5138089 0.92 TSHR (0.46) C5AR1BCHEATP4AATP4BPPARG
SCHEMBL650627 0.91 BCHE (0.43) C5AR1BCHEMAPTPPARGPPARA
SCHEMBL652081 0.91 BCHE (0.39) C5AR1BCHEATP4AATP4BMAPT
SCHEMBL648177 0.90 C5AR1 (0.42) C5AR1BCHEMAPTPPARGPPARA
SCHEMBL651401 0.90 C5AR1 (0.42) C5AR1BCHEMAPTPPARGPPARA

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