SCHEMBL25822722

SCHEMBL25822722

C[C@@H]1OCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NC(=O)c2ccncc2)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 10/20 0.54
▸ FAP Q12884 7/20 0.54
▸ DPP8 Q6V1X1 1/20 0.54
▸ DPP9 Q86TI2 1/20 0.54
▸ CASP1 P29466 1/20 0.39
▸ ELANE P08246 2/20 0.38
▸ ACE P12821 2/20 0.38
▸ BIRC2 Q13490 2/20 0.38
▸ MBOAT4 Q96T53 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
SCHEMBL17345293 0.79 PREP (0.69) PREPFAPDPP8DPP9ACE
SCHEMBL17345171 0.78 PREP (0.70) PREPFAPDPP8DPP9ACE
SCHEMBL24067537 0.71 PREP (0.70) PREPFAPDPP8DPP9ACE
SCHEMBL31488783 0.71 MEN1 (0.56) —
SCHEMBL29359250 0.71 PREP (1.00) PREPFAPDPP8DPP9
SCHEMBL18806509 0.70 PREP (0.52) PREPFAPDPP8DPP9ELANE
SCHEMBL17345172 0.70 PREP (0.58) PREPFAPDPP8DPP9ACE
SCHEMBL12950060 0.69 CASP1 (0.50) PREPFAPDPP8DPP9CASP1
SCHEMBL18806486 0.69 ACE (0.57) PREPFAPDPP8DPP9ACE
SCHEMBL11517312 0.69 PREP (0.62) PREPFAPDPP8DPP9ACE

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-3154594-B1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES LLC (US) 2023-07-19 — — EP disclosed
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