SCHEMBL649979

SCHEMBL649979

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1cc(OC)cc(OC)c1)Cc1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.65
GNRHR P30968 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
F2R P25116 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL5136938 0.94 C5AR1 (0.66) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL4768447 0.93 C5AR1 (0.64) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL4767016 0.92 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL650168 0.92 C5AR1 (0.62) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL651954 0.91 C5AR1 (0.64) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL5135929 0.91 C5AR1 (0.72) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL5134900 0.90 C5AR1 (0.63) C5AR1GNRHRSMN1; SMN2LMNAL3MBTL1
SCHEMBL649947 0.90 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1HTR2A
SCHEMBL649255 0.90 C5AR1 (0.71) C5AR1SMN1; SMN2LMNAL3MBTL1F2R
SCHEMBL649725 0.89 C5AR1 (0.58) C5AR1GNRHRSMN1; SMN2LMNAALDH1A1

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