SCHEMBL7767375

SCHEMBL7767375

CN(C)c1ccc(NC(=O)N(CC(C)(C)C)C[C@H]2CC[C@H](CN(CC(C)(C)C)C(=O)Nc3ccc(N(C)C)cc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
SHMT2 P34897 1/20 0.43
MAPT P10636 6/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 5/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
MCL1 Q07820 2/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
NOX1 Q9Y5S8 2/20 0.39
TP53 P04637 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
SCHEMBL7770056 1.00 EPHX1 (0.44) EPHX1SHMT2MAPTHPGDRAB9A
SCHEMBL7767379 1.00 EPHX1 (0.44) EPHX1SHMT2MAPTHPGDRAB9A
SCHEMBL7765494 0.90 EPHX1 (0.43) EPHX1SHMT2MAPTHPGDRAB9A
SCHEMBL8987522 0.90 EPHX1 (0.43) EPHX1SHMT2MAPTHPGDRAB9A
SCHEMBL7766373 0.84 EPHX1 (0.56) EPHX1SHMT2MAPTHPGDRAB9A
SCHEMBL7766366 0.84 EPHX1 (0.56) EPHX1SHMT2MAPTHPGDRAB9A
SCHEMBL7767992 0.80 ALDH1A1 (0.56) SHMT2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7767989 0.80 ALDH1A1 (0.56) SHMT2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7768007 0.80 MAPT (0.48) EPHX1SHMT2MAPTHPGDRAB9A
SCHEMBL7767348 0.80 EPHX1 (0.53) EPHX1SHMT2MAPTHPGDRAB9A

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