SCHEMBL650297

SCHEMBL650297

Cc1cccc(C)c1-c1nc(Cl)c(CN(C)C2CCCc3ccccc32)n1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
P4HB P07237 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CXCR4 P61073 10/20 0.36
KCNH2 Q12809 1/20 0.35
RAB9A P51151 1/20 0.35
PFKFB3 Q16875 1/20 0.34
ACE P12821 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL650625 0.87 MEN1 (0.44) MEN1P4HBKMT2AALDH1A1XBP1
SCHEMBL1913107 0.79 MEN1 (0.44) MEN1P4HBKMT2AALDH1A1XBP1
SCHEMBL650514 0.78 MEN1 (0.41) MEN1P4HBKMT2AALDH1A1XBP1
SCHEMBL651120 0.78 MEN1 (0.41) MEN1P4HBKMT2AALDH1A1XBP1
SCHEMBL12750351 0.73 MEN1 (0.42) MEN1P4HBKMT2AALDH1A1XBP1
SCHEMBL5929048 0.73 PRCP (0.46) KCNH2
SCHEMBL61602 0.72 ALDH1A1 (0.46) MEN1P4HBKMT2AALDH1A1XBP1
SCHEMBL61601 0.72 ALDH1A1 (0.46) MEN1P4HBKMT2AALDH1A1XBP1
SCHEMBL61148 0.70 ALDH1A1 (0.41) MEN1P4HBKMT2AALDH1A1XBP1
SCHEMBL61147 0.70 ALDH1A1 (0.41) MEN1P4HBKMT2AALDH1A1XBP1

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