SCHEMBL649447

SCHEMBL649447

CCCCn1c(-c2c(C)cccc2C)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TSHR P16473 3/20 0.38
GNRHR P30968 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 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
SCHEMBL4767016 0.92 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL648388 0.91 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1913064 0.90 C5AR1 (0.67) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL649446 0.90 C5AR1 (0.72) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL5135929 0.90 C5AR1 (0.72) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL651414 0.90 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL649255 0.89 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL649645 0.89 C5AR1 (0.70) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL648372 0.89 C5AR1 (0.70) C5AR1SMN1; SMN2LMNAL3MBTL1HSP90AA1
SCHEMBL1913022 0.88 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 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
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-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed