SCHEMBL11018050

SCHEMBL11018050

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)NNc3ccccc3)c2C1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.56
▸ ANPEP P15144 4/20 0.56
▸ NR1H2 P55055 1/20 0.49
▸ NR1H3 Q13133 1/20 0.49
▸ GAA P10253 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ KCNK3 O14649 2/20 0.37
▸ KCNK9 Q9NPC2 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ ALOX12 P18054 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ BCL2 P10415 1/20 0.37
▸ PTGS2 P35354 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
SCHEMBL11018033 0.89 DPP4 (0.58) DPP4ANPEPNR1H2NR1H3KCNK3
SCHEMBL11016329 0.85 DPP4 (0.60) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11017926 0.83 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL11021461 0.83 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11019780 0.82 DPP4 (0.62) DPP4ANPEPNR1H2NR1H3MAOA
SCHEMBL11017368 0.82 DPP4 (0.62) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL10878219 0.82 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11021879 0.81 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11020754 0.81 DPP4 (0.57) DPP4ANPEPNR1H2NR1H3ALDH1A1
Ammonia Solution, Strong SCHEMBL11017800 0.81 DPP4 (0.67) DPP4ANPEPNR1H2NR1H3ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0152021-A2 Phthalimide derivatives, their preparation and their use as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed
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