SCHEMBL652934

SCHEMBL652934

CCCCn1c(-c2c(CC)cccc2CC)nc(-c2ccc(C)cc2)c1CN(C)C1CCCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
P4HB P07237 1/20 0.39
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CXCR4 P61073 6/20 0.34
SIGMAR1 Q99720 2/20 0.34
XBP1 P17861 1/20 0.34
C5AR1 P21730 4/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL650173 0.88 MEN1 (0.42) KMT2AMEN1P4HBALDH1A1HTT
SCHEMBL650514 0.87 MEN1 (0.41) KMT2AMEN1P4HBALDH1A1HTT
SCHEMBL651120 0.87 MEN1 (0.41) KMT2AMEN1P4HBALDH1A1HTT
SCHEMBL650242 0.87 MEN1 (0.41) KMT2AMEN1P4HBALDH1A1HTT
SCHEMBL1913092 0.85 MEN1 (0.44) KMT2AMEN1P4HBALDH1A1HTT
SCHEMBL650379 0.80 SIGMAR1 (0.39) KMT2AMEN1P4HBALDH1A1HTT
SCHEMBL650625 0.78 MEN1 (0.44) KMT2AMEN1P4HBALDH1A1HTT
SCHEMBL648817 0.75 MEN1 (0.49) KMT2AMEN1P4HBALDH1A1HTT
SCHEMBL651000 0.74 MEN1 (0.42) KMT2AMEN1P4HBALDH1A1HTT
SCHEMBL648629 0.74 MEN1 (0.45) KMT2AMEN1P4HBALDH1A1HTT

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