SCHEMBL27823946

SCHEMBL27823946

N#CCC(CCO)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 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
SCHEMBL31266480 0.79 TSHR (0.41)
SCHEMBL8668525 0.77 DPP4 (0.50) DPP4
SCHEMBL1426213 0.72 DPP4 (0.46) DPP4
SCHEMBL9546085 0.70
SCHEMBL28309756 0.70 DPP4 (0.43) DPP4
SCHEMBL1129965 0.69 DPP4 (0.42) DPP4
SCHEMBL28790223 0.68 TSHR (0.34)
SCHEMBL1762574 0.67 TSHR (0.31)
SCHEMBL27823939 0.67 THRB (0.32)
SCHEMBL4422206 0.65

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
CN-102333777-B Nitrogen-containing fused heterocyclic compounds and their use as beta-amyloid production inhibitors EISAI R&D MAN CO LTD 2014-06-25 CN disclosed
CN-102333777-A Nitrogen-containing fused heterocyclic compounds and their use as beta-amyloid production inhibitors EISAI R&D MAN CO LTD 2012-01-25 CN disclosed