SCHEMBL22211398

SCHEMBL22211398

COC(=O)[C@@H]1CC(F)(F)CN1N

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PEPD P12955 3/20 0.37
MMP2 P08253 8/20 0.37
ANPEP P15144 2/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
POLB P06746 1/20 0.35
XPNPEP1 Q9NQW7 2/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 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
SCHEMBL29142179 0.80 POLB (0.36) PEPDMMP2ANPEPPOLBDPP4
SCHEMBL29142178 0.80 POLB (0.36) PEPDMMP2ANPEPPOLBDPP4
SCHEMBL19143937 0.79
SCHEMBL10138946 0.77 MMP2 (0.46) PEPDMMP2ANPEPPOLBDPP4
SCHEMBL3012517 0.77 PEPD (0.39) PEPDMMP2ANPEPPOLBXPNPEP1
SCHEMBL22541600 0.76 PEPD (0.36) PEPDMMP2ANPEPPOLBXPNPEP1
SCHEMBL18084396 0.76 PEPD (0.36) PEPDMMP2ANPEPPOLBDPP4
SCHEMBL21199412 0.73 PEPD (0.37) PEPDMMP2ANPEPPOLBXPNPEP1
SCHEMBL32683359 0.72 DPP4 (0.41) PEPDMMP2ANPEPPOLBXPNPEP1
SCHEMBL1700706 0.72 DPP4 (0.32) PEPDMMP2POLBDPP4DPP8

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-2975030-B1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-07-15 EP disclosed