SCHEMBL1913060

SCHEMBL1913060

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)CCN2C(=O)OCC)Cc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 3/20 0.40
MAFG O15525 1/20 0.40
HPGD P15428 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
DHODH Q02127 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL648137 0.88 C5AR1 (0.62) C5AR1SMN1; SMN2L3MBTL1POLBMAFG
SCHEMBL1913061 0.85 C5AR1 (0.38) C5AR1SMN1; SMN2L3MBTL1POLBLMNA
SCHEMBL4767016 0.85 C5AR1 (0.75) C5AR1SMN1; SMN2L3MBTL1HPGDTSHR
SCHEMBL5135929 0.83 C5AR1 (0.72) C5AR1SMN1; SMN2L3MBTL1HPGDTSHR
SCHEMBL648190 0.83 C5AR1 (0.65) C5AR1SMN1; SMN2L3MBTL1HPGDTSHR
SCHEMBL4766751 0.83 C5AR1 (0.58) C5AR1SMN1; SMN2POLBTSHRSIRT2
SCHEMBL5135637 0.83 C5AR1 (0.65) C5AR1SMN1; SMN2L3MBTL1HPGDTSHR
SCHEMBL649255 0.83 C5AR1 (0.71) C5AR1SMN1; SMN2L3MBTL1HPGDTSHR
SCHEMBL652163 0.82 C5AR1 (0.64) C5AR1SMN1; SMN2L3MBTL1HPGDTSHR
SCHEMBL653382 0.82 C5AR1 (0.68) C5AR1SMN1; SMN2L3MBTL1HPGDTSHR

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 10 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
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS 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
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO disclosed