SCHEMBL650263

SCHEMBL650263

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc(OCC)cc1)Cc1ccc(OC(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
CACNA2D1 P54289 2/20 0.38
ATP4A P20648 3/20 0.37
ATP4B P51164 3/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
BCHE P06276 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP13 P45452 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL650182 0.99 C5AR1 (0.40) C5AR1CACNA2D1ATP4AATP4BTSHR
SCHEMBL651033 0.95 C5AR1 (0.44) C5AR1ATP4AATP4BTSHRHPGD
SCHEMBL651956 0.94 C5AR1 (0.43) C5AR1ATP4AATP4BTSHRHPGD
SCHEMBL649888 0.94 C5AR1 (0.40) C5AR1CACNA2D1ATP4AATP4BHPGD
SCHEMBL650072 0.93 C5AR1 (0.41) C5AR1TSHRALDH1A1HTTBCHE
SCHEMBL651651 0.93 C5AR1 (0.39) C5AR1CACNA2D1TSHRHPGDALDH1A1
SCHEMBL650580 0.92 C5AR1 (0.41) C5AR1ATP4AATP4BTSHRALDH1A1
SCHEMBL5135971 0.92 C5AR1 (0.41) C5AR1TSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL652505 0.92 C5AR1 (0.42) C5AR1ATP4AATP4BTSHRHPGD
SCHEMBL650402 0.92 C5AR1 (0.41) C5AR1ATP4AATP4BTSHRHPGD

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