SCHEMBL27117604

SCHEMBL27117604

CCCCCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCOCCNC(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 3/20 0.48
▸ FAAH O00519 2/20 0.48
▸ CCKAR P32238 3/20 0.47
▸ CCKBR P32239 3/20 0.47
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ PTPN1 P18031 2/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ GLP1R P43220 2/20 0.44
▸ CHRNA1 P02708 1/20 0.44
▸ CHRNG P07510 1/20 0.44
▸ CHRNB1 P11230 1/20 0.44
▸ CHRND Q07001 1/20 0.44

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
SCHEMBL27109780 0.95 CHRNB2 (0.52) PSMB5FAAHCCKARCCKBRCHRNB2
SCHEMBL27377107 0.89 CCKAR (0.47) PSMB5FAAHCCKARCCKBRCHRNB2
SCHEMBL27378254 0.86 PSMB5 (0.48) PSMB5CCKARCCKBRCHRNB2CHRNB4
SCHEMBL25497019 0.85 FAAH (0.60) PSMB5FAAHCHRNB2CHRNB4CHRNA3
SCHEMBL25496878 0.84 FAAH (0.53) PSMB5FAAHCHRNB2CHRNB4CHRNA3
SCHEMBL23718677 0.84 FAAH (0.52) PSMB5FAAHCHRNB2CHRNB4CHRNA3
SCHEMBL25148144 0.84 FAAH (0.56) PSMB5FAAHCHRNB2CHRNB4CHRNA3
SCHEMBL24982484 0.82 FAAH (0.50) PSMB5FAAHCHRNB2CHRNB4CHRNA3
SCHEMBL27433914 0.82 PSMB5 (0.56) PSMB5FAAHCHRNB2CHRNB4CHRNA3
SCHEMBL26154311 0.82 FAAH (0.52) PSMB5FAAHPTPN1

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-2024044554-A1 VHH ANTIBODY CONJUGATES WITH HETEROARYL CHELATORS Abdera Therapeutics Inc. (US) 2024-02-29 — — WO disclosed
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