SCHEMBL650678

SCHEMBL650678

CCCCN(Cc1ccc2c(c1)CCO2)Cc1c(Cl)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
KCNH2 Q12809 2/20 0.41
CXCR3 P49682 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
TSHR P16473 1/20 0.35
CRHR1 P34998 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM3 P20309 1/20 0.35
BCHE P06276 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 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
SCHEMBL649388 0.92 C5AR1 (0.53) C5AR1KCNH2CXCR3CHRM5CHRM1
SCHEMBL5134570 0.91 C5AR1 (0.54) C5AR1KCNH2CXCR3CHRM5CHRM1
SCHEMBL1912841 0.91 C5AR1 (0.58) C5AR1KCNH2TSHRKDM4EALDH1A1
SCHEMBL649257 0.90 C5AR1 (0.56) C5AR1TSHRCRHR1BCHEKDM4E
SCHEMBL1912835 0.87 C5AR1 (0.63) C5AR1TSHRKDM4EALDH1A1
SCHEMBL652376 0.86 C5AR1 (0.58) C5AR1TSHRALDH1A1
SCHEMBL649839 0.85 C5AR1 (0.53) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL5136874 0.85 C5AR1 (0.54) C5AR1KCNH2CXCR3CHRM5CHRM1
SCHEMBL650416 0.85 C5AR1 (0.52) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL648975 0.84 C5AR1 (0.51) C5AR1TSHRKDM4EALDH1A1HPGD

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