SCHEMBL650625

SCHEMBL650625

CCCCn1c(-c2c(C)cccc2C)nc(Cl)c1CN(C)[C@H]1CCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
P4HB P07237 1/20 0.44
KMT2A Q03164 1/20 0.44
CXCR4 P61073 9/20 0.39
ALDH1A1 P00352 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KCNH2 Q12809 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL651120 0.91 MEN1 (0.41) MEN1P4HBKMT2ACXCR4ALDH1A1
SCHEMBL650514 0.91 MEN1 (0.41) MEN1P4HBKMT2ACXCR4ALDH1A1
SCHEMBL1913107 0.91 MEN1 (0.44) MEN1P4HBKMT2ACXCR4ALDH1A1
SCHEMBL650297 0.87 MEN1 (0.47) MEN1P4HBKMT2ACXCR4ALDH1A1
SCHEMBL650173 0.82 MEN1 (0.42) MEN1P4HBKMT2ACXCR4ALDH1A1
SCHEMBL650242 0.81 MEN1 (0.41) MEN1P4HBKMT2ACXCR4ALDH1A1
SCHEMBL1913092 0.79 MEN1 (0.44) MEN1P4HBKMT2ACXCR4ALDH1A1
SCHEMBL652934 0.78 KMT2A (0.39) MEN1P4HBKMT2ACXCR4ALDH1A1
SCHEMBL650379 0.73 SIGMAR1 (0.39) MEN1P4HBKMT2ACXCR4ALDH1A1
SCHEMBL5928961 0.72 OPRM1 (0.38) MEN1KMT2AALDH1A1HTTSIGMAR1

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