SCHEMBL25135486

SCHEMBL25135486

COC(=O)[C@@H]1C2[C@H](CN1C(=O)C(N)C(C)(C)C)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
ELANE P08246 1/20 0.39
CMA1 P23946 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CTSF Q9UBX1 1/20 0.39
FAP Q12884 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL8188346 1.00 DPP4 (0.40) DPP4DPP8DPP9CTSVCTSL
SCHEMBL7724507 1.00 DPP4 (0.40) DPP4DPP8DPP9CTSVCTSL
SCHEMBL12142684 1.00 DPP4 (0.40) DPP4DPP8DPP9CTSVCTSL
SCHEMBL30705634 1.00 DPP4 (0.40) DPP4DPP8DPP9CTSVCTSL
Hydrochloric Acid SCHEMBL25310545 0.99 DPP4 (0.39) DPP4DPP8DPP9CTSVCTSL
Hydrochloric Acid SCHEMBL25310550 0.99 DPP4 (0.39) DPP4DPP8DPP9CTSVCTSL
Trifluoroacetic Acid SCHEMBL30489482 0.93 CTSV (0.37) DPP4DPP8DPP9CTSVCTSL
SCHEMBL30557102 0.91 CTSV (0.37) CTSVCTSLCTSBELANECMA1
SCHEMBL30556788 0.90 CTSV (0.36) CTSVCTSLCTSBELANECMA1
SCHEMBL25076129 0.88 DPP4 (0.39) DPP4DPP8DPP9CTSVCTSL

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-4166539-A1 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS Pfizer Inc. (US) 2023-04-19 EP disclosed