SCHEMBL21101295

SCHEMBL21101295

COc1ccc2nccc(C(=O)NCC(=O)N3CCCC3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.68
DPP4 P27487 2/20 0.60
DPP9 Q86TI2 1/20 0.60
LMNA P02545 1/20 0.55
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
FAP Q12884 4/20 0.52
RAB9A P51151 1/20 0.51
MET P08581 2/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL21101294 0.87 PREP (0.69) PREPDPP4DPP9FAP
SCHEMBL26231103 0.84 PREP (0.77) PREPDPP4DPP9FAP
SCHEMBL21101486 0.84 PREP (0.67) PREPFAP
SCHEMBL23760562 0.83 LMNA (0.64) PREPDPP4DPP9LMNAKDM4E
SCHEMBL23760563 0.83 LMNA (0.67) PREPDPP4DPP9LMNAKDM4E
SCHEMBL21101960 0.83 PREP (0.75) PREPDPP4DPP9FAP
SCHEMBL15129913 0.81 PREP (1.00) PREPDPP4DPP9FAP
SCHEMBL29936567 0.81 PREP (1.00) PREPDPP4DPP9FAP
SCHEMBL15129912 0.81 PREP (1.00) PREPDPP4DPP9FAP
SCHEMBL26225738 0.81 FAP (0.58) PREPDPP4DPP9FAP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4227300-A1 TRUNCATED EVANS BLUE MODIFIED FIBROBLAST ACTIVATION PROTEIN INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Yantai Lannacheng Biotechnology Co., Ltd. (CN) 2023-08-16 EP disclosed
EP-2804859-B1 NOVEL FAP INHIBITORS UNIV ANTWERPEN (BE) 2019-06-12 EP disclosed