SCHEMBL648720

SCHEMBL648720

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(CCCOCC)Cc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.64
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 3/20 0.38
GNRHR P30968 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CASP1 P29466 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5137882 0.93 C5AR1 (0.71) C5AR1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL648578 0.92 C5AR1 (0.57) C5AR1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL651133 0.91 C5AR1 (0.58) C5AR1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL651051 0.91 C5AR1 (0.71) C5AR1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL5137483 0.90 C5AR1 (0.67) C5AR1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL4767016 0.90 C5AR1 (0.75) C5AR1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL1912848 0.89 C5AR1 (0.69) C5AR1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL649868 0.89 C5AR1 (0.66) C5AR1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL5135736 0.88 C5AR1 (0.70) C5AR1TSHRL3MBTL1SMN1; SMN2LMNA
SCHEMBL5135929 0.88 C5AR1 (0.72) C5AR1TSHRL3MBTL1SMN1; SMN2LMNA

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