SCHEMBL648629

SCHEMBL648629

CCc1cccc(CC)c1-c1nc(Br)c(CN(C)C2CCCc3ccccc32)n1CC1OCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
P4HB P07237 1/20 0.45
ALDH1A1 P00352 2/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.34
C5AR1 P21730 5/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRB3 P13945 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SPR P35270 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 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
SCHEMBL650242 0.86 MEN1 (0.41) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL648817 0.86 MEN1 (0.49) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL651000 0.86 MEN1 (0.42) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL650173 0.78 MEN1 (0.42) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL650514 0.76 MEN1 (0.41) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL651120 0.76 MEN1 (0.41) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL652934 0.74 KMT2A (0.39) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL5179189 0.73 ALDH1A1 (0.40) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL64660 0.73 ALDH1A1 (0.42) MEN1KMT2AP4HBALDH1A1XBP1
SCHEMBL1328886 0.72 C5AR1 (0.43) MEN1KMT2AP4HBALDH1A1XBP1

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