SCHEMBL11022123

SCHEMBL11022123

CCc1cccc(C(C)CC)c1N1C(=O)c2cccc(CO)c2C1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.55
▸ ANPEP P15144 5/20 0.55
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ ELANE P08246 2/20 0.32

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
SCHEMBL11018476 0.90 DPP4 (0.60) DPP4ANPEPCRHBPCRHR2NR1H2
SCHEMBL11019714 0.89 DPP4 (0.53) DPP4ANPEPCRHBPCRHR2NR1H2
SCHEMBL11017675 0.86 DPP4 (0.53) DPP4ANPEPCRHBPCRHR2NR1H2
SCHEMBL11021633 0.86 DPP4 (0.50) DPP4ANPEPCRHBPCRHR2NR1H2
SCHEMBL11021683 0.86 DPP4 (0.73) DPP4ANPEPCRHBPCRHR2
SCHEMBL11019313 0.85 DPP4 (0.52) DPP4ANPEPCRHBPCRHR2NR1H2
SCHEMBL11021544 0.85 DPP4 (0.52) DPP4ANPEPCRHBPCRHR2
SCHEMBL11018418 0.84 DPP4 (0.51) DPP4ANPEPCRHBPCRHR2NR1H2
SCHEMBL11019003 0.83 DPP4 (0.68) DPP4ANPEPNR1H2NR1H3
SCHEMBL11016927 0.82 ANPEP (0.49) DPP4ANPEPCRHBPCRHR2TSHR

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