SCHEMBL26619829

SCHEMBL26619829

C[C@@H](N)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
IDO1 P14902 2/20 0.43
PDE2A O00408 5/20 0.41
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 1/20 0.36
NOTUM Q6P988 1/20 0.33
AR P10275 2/20 0.33

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
SCHEMBL6815689 1.00 DPP4 (0.43) DPP4IDO1PDE2ALMNATP53
Hydrochloric Acid SCHEMBL14157379 0.98 IDO1 (0.45) DPP4IDO1PDE2ALMNATP53
Hydrochloric Acid SCHEMBL14121597 0.98 IDO1 (0.45) DPP4IDO1PDE2ALMNATP53
SCHEMBL16044673 0.87 PDE2A (0.40) DPP4IDO1PDE2ALMNATP53
SCHEMBL20832010 0.85 IDO1 (0.40) DPP4IDO1PDE2ALMNATP53
SCHEMBL4547922 0.84 NOTUM (0.44) DPP4IDO1PDE2ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL14120415 0.83 IDO1 (0.41) DPP4IDO1PDE2ALMNATP53
Hydrochloric Acid SCHEMBL14120522 0.83 IDO1 (0.41) DPP4IDO1PDE2ALMNATP53
SCHEMBL25279412 0.81 IDO1 (0.41) DPP4IDO1PDE2ASLC6A2SLC6A4
SCHEMBL12058638 0.81 IDO1 (0.41) DPP4IDO1PDE2ASLC6A2SLC6A4

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-4265599-A1 PYRIMIDINE CARBOXAMIDE COMPOUND AND USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-10-25 EP disclosed