SCHEMBL30972217

SCHEMBL30972217

CS(=O)(=O)c1ncc(C#CCCCC(=O)NCCC(=O)CCC(=O)CCC(=O)CCC(=O)NCC(=O)NC(CO)C(=O)NCC(N)=O)cn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL31697519 0.88 TLR2 (0.33) NMT2NMT1OPRM1OPRD1OPRK1
SCHEMBL25046482 0.82 OPRD1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL31575300 0.81 NMT2 (0.36) NMT2NMT1
SCHEMBL25046488 0.79 CCKAR (0.38) OPRM1OPRD1OPRK1
SCHEMBL25045552 0.76 CTSL (0.39) OPRM1OPRD1OPRK1
SCHEMBL31217911 0.74 MMP2 (0.31) —
SCHEMBL31756758 0.73 GLP1R (0.35) NMT2NMT1
SCHEMBL22618814 0.72 FFAR1 (0.32) —
SCHEMBL25046497 0.72 OPRD1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL25046362 0.72 OPRM1 (0.37) OPRM1OPRD1OPRK1

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-2024149093-A1 GLUCOCORTICOID RECEPTOR AGONIST AND CONJUGATE THEREOF 四川科伦博泰生物医药股份有限公司 2024-07-18 — — WO disclosed
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