SCHEMBL649952

SCHEMBL649952

CCCCN(Cc1cc(C)c(OC(F)F)c(C)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
CRHR1 P34998 4/20 0.39
TSHR P16473 5/20 0.37
ATP4A P20648 3/20 0.35
ATP4B P51164 3/20 0.35
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 6/20 0.35
HSD17B10 Q99714 6/20 0.35
CYP3A4 P08684 5/20 0.35
HDAC1 Q13547 1/20 0.34
BCHE P06276 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL650339 0.94 C5AR1 (0.41) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL648523 0.91 CRHR1 (0.46) C5AR1CRHR1TSHR
SCHEMBL651014 0.91 C5AR1 (0.41) C5AR1CRHR1TSHRATP4AATP4B
SCHEMBL1915451 0.90 C5AR1 (0.41) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL649513 0.90 C5AR1 (0.43) C5AR1CRHR1TSHRATP4AATP4B
SCHEMBL650679 0.89 C5AR1 (0.43) C5AR1CRHR1TSHRATP4AATP4B
SCHEMBL649007 0.88 C5AR1 (0.39) C5AR1CRHR1TSHR
SCHEMBL650283 0.87 C5AR1 (0.42) C5AR1CRHR1TSHRATP4AATP4B
SCHEMBL650600 0.87 C5AR1 (0.39) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL651691 0.87 C5AR1 (0.42) C5AR1CRHR1TSHRATP4AATP4B

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