SCHEMBL652233

SCHEMBL652233

CCCCN(Cc1ccc(Cl)c(F)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.46
CRHR1 P34998 3/20 0.41
TSHR P16473 4/20 0.38
BCHE P06276 1/20 0.37
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CYP3A4 P08684 3/20 0.35
HDAC1 Q13547 1/20 0.35
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
HSD11B1 P28845 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
SCHEMBL649330 0.94 C5AR1 (0.47) C5AR1CRHR1TSHRKDM4EALDH1A1
SCHEMBL648035 0.93 C5AR1 (0.46) C5AR1CRHR1TSHRBCHEKDM4E
SCHEMBL648382 0.92 C5AR1 (0.48) C5AR1CRHR1TSHRBCHEKDM4E
SCHEMBL5137867 0.92 C5AR1 (0.48) C5AR1CRHR1TSHRBCHEKDM4E
SCHEMBL649008 0.89 C5AR1 (0.45) C5AR1CRHR1TSHRBCHEKDM4E
SCHEMBL650018 0.89 C5AR1 (0.46) C5AR1CRHR1TSHRBCHEKDM4E
SCHEMBL650883 0.88 C5AR1 (0.45) C5AR1CRHR1TSHRBCHEKDM4E
SCHEMBL648704 0.88 C5AR1 (0.42) C5AR1CRHR1TSHR
SCHEMBL1912916 0.87 C5AR1 (0.47) C5AR1CRHR1TSHRBCHEKDM4E
SCHEMBL648706 0.87 C5AR1 (0.46) C5AR1CRHR1TSHRBCHEKDM4E

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