SCHEMBL648593

SCHEMBL648593

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.41
GFER P55789 1/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
GBA1 P04062 1/20 0.38
ALDH1A1 P00352 5/20 0.38
LTB4R Q15722 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL651895 0.91 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL647887 0.89 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL1913055 0.88 C5AR1 (0.61) C5AR1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL1913049 0.87 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL648472 0.87 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL4767016 0.86 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL649661 0.86 C5AR1 (0.66) C5AR1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL649605 0.85 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL650388 0.85 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1KDM4E
SCHEMBL1912761 0.85 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1KDM4E

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
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