SCHEMBL649490

SCHEMBL649490

CCCCN(Cc1ccc2c(c1)OCO2)Cc1c(F)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
F2R P25116 3/20 0.39
ALDH1A1 P00352 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GFER P55789 1/20 0.38
PKM P14618 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
RAB9A P51151 1/20 0.37
HIF1A Q16665 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
SCHEMBL650388 0.95 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1912864 0.94 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL5137882 0.90 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1912835 0.90 C5AR1 (0.63) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL651099 0.90 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL5136055 0.89 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL649792 0.89 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL649999 0.88 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL5137483 0.88 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL14416825 0.87 C5AR1 (0.64) 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