SCHEMBL7765459

SCHEMBL7765459

CCCCCCCCN(C[C@@H]1CCC[C@H](CN(CCCCCCCC)C(=O)Nc2ccc(N(C)C)cc2)C1)C(=O)Nc1ccc(N(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.44
CNR2 P34972 2/20 0.43
EPHX1 P07099 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GAA P10253 1/20 0.40
EPHX2 P34913 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL7770010 1.00 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7768001 1.00 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7770008 1.00 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7765419 1.00 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7767346 1.00 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7767985 1.00 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7762660 1.00 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7762762 1.00 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7766304 1.00 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL7770045 1.00 NPC1 (0.44) NPC1MAPTRAB9ASMN1; SMN2KDM4E

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-0718281-B1 CYCLOHEXANEDIUREA DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NISSIN FOOD PRODUCTS LTD (JP) 2001-06-27 EP disclosed
EP-0718281-A1 CYCLOHEXANEDIUREA DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NISSIN FOOD PRODUCTS CO., LTD. (JP) 1996-06-26 EP disclosed