SCHEMBL650780

SCHEMBL650780

CCCCN(Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC)C(C)c1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.58
USP2 O75604 1/20 0.41
ALPG P10696 1/20 0.41
GNRHR P30968 1/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.35
OGA O60502 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PTGFR P43088 2/20 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
SCHEMBL647695 0.95 C5AR1 (0.51) C5AR1USP2ALPGGNRHRMEN1
SCHEMBL651123 0.90 C5AR1 (0.60) C5AR1USP2ALPGGNRHRMEN1
SCHEMBL650057 0.87 C5AR1 (0.51) C5AR1USP2ALPGMEN1HPGD
SCHEMBL651497 0.83 C5AR1 (0.68) C5AR1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL650905 0.83 C5AR1 (0.68) C5AR1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL1912886 0.82 C5AR1 (0.45) C5AR1USP2ALPGMEN1HPGD
SCHEMBL5137882 0.81 C5AR1 (0.71) C5AR1GNRHRMEN1HPGDKMT2A
SCHEMBL648833 0.81 C5AR1 (0.58) C5AR1USP2ALPGMEN1HPGD
SCHEMBL4767009 0.80 C5AR1 (0.57) C5AR1USP2ALPGMEN1HPGD
SCHEMBL649957 0.80 C5AR1 (0.38) C5AR1MEN1HPGDKMT2AALDH1A1

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