SCHEMBL11018629

SCHEMBL11018629

CCc1cccc(C(C)C)c1N1C(=O)c2cccc(C(=O)NC)c2C1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.53
▸ ANPEP P15144 6/20 0.53
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ IDH1 O75874 1/20 0.34

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
SCHEMBL11019989 0.91 DPP4 (0.49) DPP4ANPEPPOLBALDH1A1CYP1A2
SCHEMBL11021461 0.91 DPP4 (0.64) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11017209 0.90 DPP4 (0.63) DPP4ANPEPPOLBALDH1A1CYP1A2
SCHEMBL11018280 0.87 DPP4 (0.56) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11020653 0.87 DPP4 (0.53) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11016509 0.86 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3CRHBP
SCHEMBL11018358 0.86 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3MAPT
SCHEMBL11016792 0.86 DPP4 (0.55) DPP4ANPEPNR1H2NR1H3ALDH1A1
SCHEMBL11019024 0.84 DPP4 (0.47) DPP4ANPEPNR1H2NR1H3POLB
SCHEMBL11021879 0.84 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3POLB

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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