SCHEMBL6027331

SCHEMBL6027331

CC1CCC(C(=O)Nc2ccc(-c3cnc(-c4ccc(NC56CC7CC(CC(C7)C5)C6)cc4)[nH]3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.39
SCN3A Q9NY46 2/20 0.39
SCN9A Q15858 1/20 0.39
PTPN1 P18031 2/20 0.38
PTPN2 P17706 1/20 0.38
NAMPT P43490 1/20 0.37
DHODH Q02127 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MDM2 Q00987 2/20 0.36
MAPT P10636 2/20 0.36
EPHX2 P34913 1/20 0.36
DYRK1A Q13627 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
ABL1 P00519 1/20 0.35
TNKS O95271 1/20 0.35

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
SCHEMBL6026607 1.00 GSK3B (0.39) GSK3BSCN3ASCN9APTPN1PTPN2
SCHEMBL6027187 0.90 PTPN1 (0.48) SCN3ASCN9APTPN1PTPN2NPC1
SCHEMBL6026686 0.90 PTPN1 (0.48) SCN3ASCN9APTPN1PTPN2NPC1
SCHEMBL6027147 0.85 SCN3A (0.39) SCN3ASCN9APTPN1PTPN2DHODH
SCHEMBL6028319 0.84 PTPN1 (0.54) GSK3BSCN3ASCN9APTPN1PTPN2
SCHEMBL6029160 0.84 PTPN1 (0.54) GSK3BSCN3ASCN9APTPN1PTPN2
SCHEMBL6887918 0.82 SCN2A (0.45)
SCHEMBL6887915 0.82 CNR2 (0.46) NPC1RAB9AEPHX2
SCHEMBL6887689 0.80 PTPN1 (0.44) GSK3BSCN3ASCN9APTPN1PTPN2
SCHEMBL6885314 0.80 NPC1 (0.53) PTPN1PTPN2NPC1RAB9ANR2E3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613310-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS Avanir Pharmaceuticals (US) 2006-01-11 EP disclosed
WO-2004091610-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS AVANIR PHARMACEUTICALS (US) 2004-10-28 WO disclosed