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Sugi Predict / Compounds / SCHEMBL23876265

SCHEMBL23876265

SCHEMBL23876265

C=C[C@@H](NC(=O)c1ccc(NNC(=O)CC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(=O)N1CCC[C@H]1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 14/20 0.42
▸ FAP Q12884 13/20 0.42
▸ DPP8 Q6V1X1 4/20 0.39
▸ DPP9 Q86TI2 4/20 0.39
▸ DPP4 P27487 8/20 0.36
▸ DPP7 Q9UHL4 2/20 0.34

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
SCHEMBL23876264 0.94 PREP (0.41) PREPFAPDPP8DPP9DPP4
SCHEMBL25890458 0.89 PREP (0.57) PREPFAPDPP8DPP9DPP4
SCHEMBL25890451 0.89 PREP (0.57) PREPFAPDPP8DPP9DPP4
SCHEMBL25893990 0.82 PREP (0.54) PREPFAPDPP8DPP9DPP4
SCHEMBL25893874 0.82 PREP (0.54) PREPFAPDPP8DPP9DPP4
SCHEMBL25893876 0.81 PREP (0.50) PREPFAPDPP8DPP9DPP4
SCHEMBL27264980 0.80 PREP (0.55) PREPFAPDPP8DPP9DPP4
SCHEMBL23876869 0.79 PREP (0.63) PREPFAPDPP8DPP9DPP4
SCHEMBL25891558 0.79 PREP (0.63) PREPFAPDPP8DPP9DPP4
SCHEMBL25891171 0.78 PREP (0.61) PREPFAPDPP8DPP9DPP4

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-2021195198-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2021-09-30 — — WO disclosed
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