SCHEMBL652765

SCHEMBL652765

CCCCC(c1cnc(-c2ccccc2)n1CCCC)N(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
PPARD Q03181 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
FYN P06241 1/20 0.35
F2R P25116 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
PDE5A O76074 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CTSL P07711 1/20 0.35

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
SCHEMBL5137549 0.92 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL650881 0.92 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL5137636 0.88 C5AR1 (0.56) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1913038 0.87 C5AR1 (0.50) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL1913037 0.86 C5AR1 (0.52) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL651265 0.84 C5AR1 (0.53) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL5137583 0.83 HSP90AA1 (0.39) HSP90AA1HSP90AB1F2R
SCHEMBL5135943 0.82 C5AR1 (0.36) C5AR1PPARGPPARA
SCHEMBL1912763 0.82 C5AR1 (0.58) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1
SCHEMBL5134563 0.82 C5AR1 (0.60) C5AR1SMN1; SMN2LMNAL3MBTL1TDP1

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