SCHEMBL6027147

SCHEMBL6027147

CC1CCCCC1C(=O)Nc1ccc(-c2ncc(-c3ccc(NC45CC6CC(CC(C6)C4)C5)cc3)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 2/20 0.39
SCN9A Q15858 1/20 0.39
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
EPHX2 P34913 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
PTPN1 P18031 2/20 0.34
PTPN2 P17706 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
TNKS O95271 1/20 0.34
DHODH Q02127 2/20 0.33
JAK2 O60674 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
SCHEMBL6027187 0.87 PTPN1 (0.48) SCN3ASCN9ARAB9ASMN1; SMN2NPC1
SCHEMBL6026686 0.87 PTPN1 (0.48) SCN3ASCN9ARAB9ASMN1; SMN2NPC1
SCHEMBL6026607 0.85 GSK3B (0.39) SCN3ASCN9ARAB9ANPC1MAPT
SCHEMBL6027331 0.85 GSK3B (0.39) SCN3ASCN9ARAB9ANPC1MAPT
SCHEMBL6888068 0.84 PTPN1 (0.51) SCN3ASCN9ARAB9ASMN1; SMN2NPC1
SCHEMBL6031823 0.84 PTPN1 (0.51) SCN3ASCN9ARAB9ASMN1; SMN2NPC1
SCHEMBL6030700 0.84 PTPN1 (0.51) SCN3ASCN9ARAB9ASMN1; SMN2NPC1
SCHEMBL6029811 0.84 PTPN1 (0.51) SCN3ASCN9ARAB9ASMN1; SMN2NPC1
SCHEMBL6885880 0.82 SCN3A (0.42) SCN3ASCN9ARAB9ASMN1; SMN2MEN1
SCHEMBL6887689 0.82 PTPN1 (0.44) SCN3ASCN9ARAB9ASMN1; SMN2MEN1

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