SCHEMBL27434308

SCHEMBL27434308

BCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCNC)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 9/20 0.39
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAP1LC3B Q9GZQ8 2/20 0.35
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ NPY4R P50391 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNG P07510 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ CHRND Q07001 1/20 0.34
▸ FAP Q12884 1/20 0.34
▸ C3AR1 Q16581 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 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
SCHEMBL22138373 0.92 FURIN (0.45) FURINHTTSMN1; SMN2MAP1LC3BNPY1R
SCHEMBL25831637 0.92 HTT (0.41) FURINHTTSMN1; SMN2MAP1LC3BNPY1R
SCHEMBL22702534 0.91 TRPV1 (0.39) FURINHTTSMN1; SMN2MAP1LC3BNPY1R
SCHEMBL24774284 0.90 FURIN (0.40) FURINHTTSMN1; SMN2MAP1LC3BNPY1R
SCHEMBL22138374 0.89 SIRT5 (0.38) FURINHTTMAP1LC3BFAPSIRT5
SCHEMBL25733655 0.86 FURIN (0.45) FURINHTTSMN1; SMN2MAP1LC3BCHRNA1
SCHEMBL24296990 0.86 FURIN (0.40) FURINHTTSMN1; SMN2MAP1LC3BNPY1R
SCHEMBL15699736 0.85 FURIN (0.40) FURINHTTSMN1; SMN2MAP1LC3BNPY1R
SCHEMBL25787504 0.85 FURIN (0.40) FURINHTTSMN1; SMN2MAP1LC3BNPY1R
SCHEMBL22138594 0.84 FURIN (0.39) FURINHTTSMN1; SMN2NPY1RNPY2R

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-2024138000-A1 PRODRUGS OF TOPOISOMERASE I INHIBITOR FOR ADC CONJUGATIONS AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 — — WO disclosed
Send feedback