SCHEMBL7768003

SCHEMBL7768003

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 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MCL1 Q07820 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CCR3 P51677 1/20 0.44
RORC P51449 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
MTOR P42345 1/20 0.42

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
SCHEMBL7766374 1.00 ALDH1A1 (0.51) ALDH1A1NPSR1NPC1MAPTALOX15
SCHEMBL7766384 1.00 ALDH1A1 (0.51) ALDH1A1NPSR1NPC1MAPTALOX15
SCHEMBL7766380 1.00 ALDH1A1 (0.51) ALDH1A1NPSR1NPC1MAPTALOX15
SCHEMBL7767989 0.91 ALDH1A1 (0.56) ALDH1A1NPSR1NPC1MAPTALOX15
SCHEMBL7767992 0.91 ALDH1A1 (0.56) ALDH1A1NPSR1NPC1MAPTALOX15
SCHEMBL7765465 0.87 ALDH1A1 (0.55) ALDH1A1NPSR1NPC1MAPTALOX15
SCHEMBL7765470 0.87 ALDH1A1 (0.55) ALDH1A1NPSR1NPC1MAPTALOX15
SCHEMBL7765462 0.87 ALDH1A1 (0.55) ALDH1A1NPSR1NPC1MAPTALOX15
SCHEMBL7762740 0.85 EPHX1 (0.52) ALDH1A1NPC1MAPTALOX15NFKB1
SCHEMBL7767350 0.85 EPHX1 (0.52) ALDH1A1NPC1MAPTALOX15NFKB1

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