SCHEMBL11021549

SCHEMBL11021549

CCc1cccc(C(C)C)c1N1C(=O)c2cccc(CC#N)c2C1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.54
▸ ANPEP P15144 6/20 0.54
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33

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
SCHEMBL11020337 0.94 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3HSP90AA1
SCHEMBL11021633 0.91 DPP4 (0.50) DPP4ANPEPNR1H2NR1H3CRHBP
SCHEMBL11016802 0.86 DPP4 (0.58) DPP4ANPEPNR1H2NR1H3CRHBP
SCHEMBL11018476 0.85 DPP4 (0.60) DPP4ANPEPNR1H2NR1H3CRHBP
SCHEMBL29382416 0.83 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3CRHBP
SCHEMBL11018280 0.80 DPP4 (0.56) DPP4ANPEPNR1H2NR1H3CRHBP
SCHEMBL11016750 0.79 DPP4 (0.66) DPP4ANPEPNR1H2NR1H3CRHBP
SCHEMBL11018358 0.79 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3CRHBP
SCHEMBL11016509 0.79 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3CRHBP
SCHEMBL11020654 0.78 DPP4 (0.52) DPP4ANPEPNR1H2NR1H3

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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