SCHEMBL23876222

SCHEMBL23876222

O=C(O)CN1CCN(CC(=O)NCCCC(=O)NCc2ccc(C(=O)NCC(=O)N3CCC[C@H]3B(O)O)cn2)CCN(CC(=O)O)CCN(CC(O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 10/20 0.46
▸ FAP Q12884 10/20 0.46
▸ DPP4 P27487 8/20 0.46
▸ DPP8 Q6V1X1 3/20 0.46
▸ DPP9 Q86TI2 3/20 0.46
▸ FOLH1 Q04609 8/20 0.40

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
SCHEMBL25893586 0.84 PREP (0.50) PREPFAPDPP4DPP8DPP9
SCHEMBL23876235 0.84 PREP (0.56) PREPFAPDPP4DPP8DPP9
SCHEMBL25896700 0.83 PREP (0.49) PREPFAPDPP4DPP8DPP9
SCHEMBL23876225 0.80 PREP (0.64) PREPFAPDPP4DPP8DPP9
SCHEMBL23876489 0.79 DPP4 (0.55) PREPFAPDPP4DPP8DPP9
SCHEMBL23876224 0.78 PREP (0.56) PREPFAPDPP4DPP8DPP9
SCHEMBL25896825 0.77 FAP (0.43) PREPFAPDPP4DPP8DPP9
SCHEMBL25892342 0.77 PREP (0.56) PREPFAPDPP4DPP8DPP9
SCHEMBL23876867 0.77 PREP (0.64) PREPFAPDPP4DPP8DPP9
SCHEMBL23876545 0.76 FAP (0.62) PREPFAPDPP4DPP8DPP9

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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