SCHEMBL30975227

SCHEMBL30975227

NC(=O)C1CCCN1C(=O)CC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.48
▸ HTR1A P08908 3/20 0.42
▸ HTR7 P34969 3/20 0.42
▸ ACE P12821 1/20 0.41

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
SCHEMBL3181242 0.83 ACE (0.41) ACE
SCHEMBL17188728 0.83 DPP4 (0.44) DPP4ACE
SCHEMBL3181235 0.83 ACE (0.41) ACE
SCHEMBL18779110 0.83 DPP4 (0.44) DPP4ACE
SCHEMBL1493753 0.79 DPP4 (0.47) DPP4HTR1AHTR7ACE
SCHEMBL8772871 0.79 DPP4 (0.56) DPP4HTR1AHTR7ACE
SCHEMBL8772866 0.79 DPP4 (0.56) DPP4HTR1AHTR7ACE
Bromide SCHEMBL9464396 0.77 DPP4 (0.54) DPP4HTR1AHTR7ACE
Hydrochloric Acid SCHEMBL19692659 0.77 DPP4 (0.54) DPP4HTR1AHTR7ACE
SCHEMBL16393157 0.77 DPP4 (0.42) DPP4HTR1AHTR7ACE

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-2024131265-A1 COMPOUND FOR TREATING PI3Kγ-MEDIATED DISEASES AND USE THEREOF 中国科学院合肥物质科学研究院 2024-06-27 — — WO disclosed
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