SCHEMBL650187

SCHEMBL650187

CCOc1cccc(CN(Cc2ccc3[nH]ccc3c2)Cc2c(Cl)nc(-c3ccccc3C)n2C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MCHR1 Q99705 1/20 0.33
BCHE P06276 3/20 0.33
DRD4 P21917 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SQLE Q14534 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
PDE2A O00408 2/20 0.31
CACNA2D1 P54289 1/20 0.31
SGK1 O00141 1/20 0.31
IKBKB O14920 1/20 0.31
AURKA O14965 1/20 0.31
CHUK O15111 1/20 0.31
PRKAB2 O43741 1/20 0.31
ROCK2 O75116 1/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL650733 0.82 ALDH1A1 (0.36) SQLEMAPK1
SCHEMBL649715 0.82 MEN1 (0.33) SLC6A2SLC6A4SLC6A3BCHEDRD4
SCHEMBL650098 0.76 MEN1 (0.36) BCHEABL1LCKSRC
SCHEMBL651294 0.75 BCHE (0.40) BCHEPPARGPPARA
SCHEMBL1913111 0.74 MEN1 (0.37)
SCHEMBL1913109 0.73 MEN1 (0.34)
SCHEMBL652698 0.73 MEN1 (0.36)
SCHEMBL648912 0.73 KMT2A (0.37) BCHE
SCHEMBL648590 0.73 C5AR1 (0.40) MAPK1
SCHEMBL650387 0.72 BCHE (0.35) BCHE

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
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