SCHEMBL647695

SCHEMBL647695

CCCCN(Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)C(C)c1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
ALPG P10696 1/20 0.35
GNRHR P30968 1/20 0.34
CASR P41180 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM1A O60341 3/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PDE2A O00408 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL650780 0.95 C5AR1 (0.58) C5AR1ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL1912886 0.87 C5AR1 (0.45) C5AR1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL651123 0.86 C5AR1 (0.60) C5AR1ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL648043 0.83 C5AR1 (0.60) C5AR1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1912932 0.83 C5AR1 (0.60) C5AR1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL650057 0.82 C5AR1 (0.51) C5AR1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL5135936 0.81 C5AR1 (0.63) C5AR1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL649957 0.80 C5AR1 (0.38) C5AR1ALDH1A1KDM4ETSHRCASR
SCHEMBL1912839 0.80 C5AR1 (0.66) C5AR1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL648042 0.80 MAPT (0.39) C5AR1ALDH1A1KDM4ETSHRCASR

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
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
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