SCHEMBL7767353

SCHEMBL7767353

CN(C)c1ccc(NC(=O)N(CC2CCCCC2)C[C@@H]2CCC[C@@H](CN(CC3CCCCC3)C(=O)Nc3ccc(N(C)C)cc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
ATM Q13315 1/20 0.45
RAB9A P51151 5/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
RAD52 P43351 1/20 0.43
NPY5R Q15761 1/20 0.43
KMT2A Q03164 3/20 0.43
SHMT2 P34897 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 3/20 0.41
EPHX2 P34913 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 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
SCHEMBL7762740 1.00 EPHX1 (0.52) EPHX1ATMRAB9AHDAC3HDAC1
SCHEMBL7767350 1.00 EPHX1 (0.52) EPHX1ATMRAB9AHDAC3HDAC1
SCHEMBL7762734 1.00 EPHX1 (0.52) EPHX1ATMRAB9AHDAC3HDAC1
SCHEMBL7766366 0.94 EPHX1 (0.56) EPHX1ATMRAB9AHDAC3HDAC1
SCHEMBL7766373 0.94 EPHX1 (0.56) EPHX1ATMRAB9AHDAC3HDAC1
SCHEMBL7767344 0.91 EPHX1 (0.53) EPHX1ATMRAB9AHDAC3HDAC1
SCHEMBL7767348 0.91 EPHX1 (0.53) EPHX1ATMRAB9AHDAC3HDAC1
SCHEMBL8987522 0.87 EPHX1 (0.43) EPHX1ATMRAB9AHDAC3HDAC1
SCHEMBL7765494 0.87 EPHX1 (0.43) EPHX1ATMRAB9AHDAC3HDAC1
SCHEMBL7762703 0.86 EPHX1 (0.51) EPHX1ATMRAB9AHDAC3HDAC1

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