SCHEMBL14919832

SCHEMBL14919832

O=C(C[CH]Cc1cc(F)c(F)cc1F)N1CCn2c(nnc2C(F)(F)F)C1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.66
▸ DPP8 Q6V1X1 9/20 0.66
▸ DPP7 Q9UHL4 3/20 0.66
▸ DPP9 Q86TI2 2/20 0.66
▸ ACE P12821 1/20 0.66
▸ HTR2A P28223 1/20 0.66
▸ FAP Q12884 1/20 0.66

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
SCHEMBL16993655 0.83 DPP4 (0.61) DPP4DPP8DPP7DPP9ACE
SCHEMBL23269993 0.83 DPP4 (0.61) DPP4DPP8DPP7DPP9ACE
SCHEMBL6876334 0.83 DPP4 (0.61) DPP4DPP8DPP7DPP9ACE
SCHEMBL30104180 0.83 DPP4 (0.61) DPP4DPP8DPP7DPP9ACE
SCHEMBL30272063 0.82 DPP4 (0.59) DPP4DPP8DPP7DPP9ACE
SCHEMBL16993659 0.82 DPP4 (0.59) DPP4DPP8DPP7DPP9ACE
SCHEMBL214373 0.82 DPP4 (0.67) DPP4DPP8DPP7DPP9ACE
SCHEMBL29558815 0.82 DPP4 (0.67) DPP4DPP8DPP7DPP9ACE
SCHEMBL7891864 0.82 DPP4 (0.67) DPP4DPP8DPP7DPP9ACE
SCHEMBL16993660 0.82 DPP4 (0.59) DPP4DPP8DPP7DPP9ACE

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
WO-2013065066-A1 PROCESSES FOR PREPARING 4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6- DIHYDRO [L,2,41-TRIAZOLO[43-A]PYRAZIN-7(8H)-YL]-L-(2,4,5- TRIFLUOROPHENYL)BUTAN-2-AMINE CADILA HEALTHCARE LIMITED (IN) 2013-05-10 — — WO disclosed
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