SCHEMBL648036

SCHEMBL648036

CCCCn1c(-c2ccccc2)nc(-c2cc(F)cc(F)c2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
F2R P25116 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL652766 0.96 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL651004 0.94 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL650779 0.93 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1912861 0.93 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL4767016 0.93 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL649889 0.92 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL651379 0.92 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL4766713 0.92 C5AR1 (0.66) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL651266 0.91 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1913022 0.91 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1

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