SCHEMBL31289124

SCHEMBL31289124

NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.60
▸ MC3R P41968 1/20 0.60
▸ FCER2 P06734 2/20 0.55
▸ MMP3 P08254 1/20 0.55
▸ MMP9 P14780 1/20 0.55
▸ CTSC P53634 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL29372257 0.92 CTSC (0.60) FCER2CTSC
SCHEMBL22925587 0.92 CTSC (0.60) FCER2CTSC
SCHEMBL22649189 0.92 CTSC (0.60) FCER2CTSC
SCHEMBL10049933 0.92 CTSC (0.60) FCER2CTSC
SCHEMBL22503609 0.90 ALDH1A1 (0.64) MC4RMC3RCTSCALDH1A1
SCHEMBL22503819 0.90 ALDH1A1 (0.64) MC4RMC3RCTSCALDH1A1
SCHEMBL31289125 0.90 ALDH1A1 (0.64) MC4RMC3RCTSCALDH1A1
SCHEMBL13538441 0.88 FCER2 (0.55) MC4RMC3RFCER2MMP3MMP9
Trifluoroacetic Acid SCHEMBL30164220 0.88 PTPN1 (0.54) FCER2CTSC
SCHEMBL29437738 0.88 ACE (0.60) —

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
WO-2024261749-A1 ANTIMICROBIAL PEPTIDE-METAL COMPLEXES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-12-26 — — WO claimed
WO-2024261749-A1 ANTIMICROBIAL PEPTIDE-METAL COMPLEXES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-12-26 — — WO disclosed
Send feedback