SCHEMBL31697519

SCHEMBL31697519

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.33
▸ NMT2 O60551 1/20 0.32
▸ NMT1 P30419 1/20 0.32
▸ CXCR4 P61073 1/20 0.32
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ OPRK1 P41145 1/20 0.30

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
SCHEMBL25046488 0.90 CCKAR (0.38) OPRM1OPRD1OPRK1
SCHEMBL30972217 0.88 NMT2 (0.33) NMT2NMT1OPRM1OPRD1OPRK1
SCHEMBL31538110 0.82 CA2 (0.35) —
SCHEMBL31756758 0.81 GLP1R (0.35) NMT2NMT1
SCHEMBL25696350 0.80 EPHX2 (0.36) —
SCHEMBL31697409 0.80 EPHX2 (0.36) —
SCHEMBL25046482 0.80 OPRD1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL31575300 0.79 NMT2 (0.36) NMT2NMT1
SCHEMBL25701620 0.79 CA2 (0.34) —
SCHEMBL31697400 0.76 TLR2 (0.36) TLR2

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
EP-4631952-A1 GLUCOCORTICOID RECEPTOR AGONIST AND CONJUGATE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2025-10-15 — — EP disclosed
Send feedback