SCHEMBL7765494

SCHEMBL7765494

CN(C)c1ccc(NC(=O)N(C[C@@H]2CCC[C@H](CN(CC(C)(C)C)C(=O)Nc3ccc(N(C)C)cc3)C2)CC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
RAB9A P51151 6/20 0.42
SHMT2 P34897 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NPC1 O15118 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.37
RAD52 P43351 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8987522 1.00 EPHX1 (0.43) EPHX1RAB9ASHMT2HDAC3HDAC1
SCHEMBL7767379 0.90 EPHX1 (0.44) EPHX1RAB9ASHMT2HDAC3HDAC1
SCHEMBL7767375 0.90 EPHX1 (0.44) EPHX1RAB9ASHMT2HDAC3HDAC1
SCHEMBL7770056 0.90 EPHX1 (0.44) EPHX1RAB9ASHMT2HDAC3HDAC1
SCHEMBL7762734 0.87 EPHX1 (0.52) EPHX1RAB9ASHMT2HDAC3HDAC1
SCHEMBL7767353 0.87 EPHX1 (0.52) EPHX1RAB9ASHMT2HDAC3HDAC1
SCHEMBL7762740 0.87 EPHX1 (0.52) EPHX1RAB9ASHMT2HDAC3HDAC1
SCHEMBL7767350 0.87 EPHX1 (0.52) EPHX1RAB9ASHMT2HDAC3HDAC1
SCHEMBL7766384 0.82 ALDH1A1 (0.51) EPHX1RAB9ASHMT2HDAC1NPC1
SCHEMBL7768003 0.82 ALDH1A1 (0.51) EPHX1RAB9ASHMT2HDAC1NPC1

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