SCHEMBL651748

SCHEMBL651748

CCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1CN(Cc1ccccc1)Cc1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.44
MAOA P21397 7/20 0.39
MAOB P27338 7/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
BRD4 O60885 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CRBN Q96SW2 1/20 0.36
KIF11 P52732 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
SCHEMBL650841 0.94 C5AR1 (0.44) C5AR1MAOAMAOBTSHRLMNA
SCHEMBL1912836 0.91 C5AR1 (0.39) C5AR1MAOAMAOBTSHRLMNA
SCHEMBL649695 0.91 C5AR1 (0.59) C5AR1TSHRLMNABRD4HTR1A
SCHEMBL648899 0.89 C5AR1 (0.40) C5AR1MAOAMAOBTSHRLMNA
SCHEMBL648290 0.85 CRHR1 (0.41) C5AR1MAOAMAOBTSHRLMNA
SCHEMBL650310 0.82 C5AR1 (0.52) C5AR1TSHRLMNAALDH1A1HSD17B10
SCHEMBL651094 0.82 TSHR (0.50) C5AR1TSHRLMNAKDM4EALDH1A1
SCHEMBL5135922 0.81 C5AR1 (0.49) C5AR1TSHRLMNAKDM4EALDH1A1
SCHEMBL648380 0.81 CRHR1 (0.37) C5AR1TSHRLMNAHTR1ADRD2
SCHEMBL5136874 0.80 C5AR1 (0.54) C5AR1TSHR

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