SCHEMBL24614244

SCHEMBL24614244

C=C(NCCCCCC)C(Cc1ccccc1)NC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ NAAA Q02083 3/20 0.46
▸ POLB P06746 1/20 0.44
▸ MMP2 P08253 9/20 0.44
▸ MMP1 P03956 4/20 0.44
▸ MMP3 P08254 4/20 0.44
▸ TLR2 O60603 1/20 0.44
▸ EPHX1 P07099 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL13778778 0.83 NAAA (0.58) HPGDNAAAMMP2MMP1MMP3
SCHEMBL24332993 0.77 TAAR1 (0.50) POLBMMP1
SCHEMBL18375940 0.74 FAAH (0.54) MMP2MMP1MMP3
SCHEMBL23154665 0.74 L3MBTL1 (0.65) POLBMMP2MMP1MMP3
SCHEMBL23154817 0.74 L3MBTL1 (0.65) POLBMMP2MMP1MMP3
SCHEMBL23154816 0.74 L3MBTL1 (0.65) POLBMMP2MMP1MMP3
SCHEMBL27328049 0.73 CHRNA1 (0.51) TLR2
SCHEMBL19290164 0.73 TAAR1 (0.46) —
SCHEMBL13136771 0.73 CYP1A2 (0.56) HPGDNAAAPOLBTLR2
SCHEMBL21585496 0.72 FAAH (0.55) HPGDNAAAMMP2MMP1MMP3

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-2022150167-A2 NOVEL MACROCYCLIC OPIOID PEPTIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-07-14 — — WO disclosed
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