SCHEMBL7770060

SCHEMBL7770060

CN(C)c1ccc(NC(=O)N(Cc2ccco2)CC2CCC(CN(Cc3ccco3)C(=O)Nc3ccc(N(C)C)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.51
GAA P10253 4/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 9/20 0.49
NPSR1 Q6W5P4 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADRA2A P08913 2/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7770059 1.00 GFER (0.51) GFERGAAALDH1A1L3MBTL1LMNA
SCHEMBL7767998 1.00 GFER (0.51) GFERGAAALDH1A1L3MBTL1LMNA
SCHEMBL7762712 0.92 GFER (0.47) GFERGAAALDH1A1L3MBTL1LMNA
SCHEMBL7762717 0.92 GFER (0.47) GFERGAAALDH1A1L3MBTL1LMNA
SCHEMBL7767975 0.90 GFER (0.50) GFERGAAALDH1A1L3MBTL1LMNA
SCHEMBL7767972 0.90 GFER (0.50) GFERGAAALDH1A1L3MBTL1LMNA
SCHEMBL7767992 0.81 ALDH1A1 (0.56) GFERGAAALDH1A1MAPTNPSR1
SCHEMBL7767989 0.81 ALDH1A1 (0.56) GFERGAAALDH1A1MAPTNPSR1
SCHEMBL7766373 0.78 EPHX1 (0.56) GAAALDH1A1MAPTMAPK1KMT2A
SCHEMBL7766366 0.78 EPHX1 (0.56) GAAALDH1A1MAPTMAPK1KMT2A

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