SCHEMBL22969740

SCHEMBL22969740

CC(=O)OCc1ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)C3CCC(CN4C(=O)CC(C)C4=O)CC3)nn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.38
▸ IL2 P60568 1/20 0.38
▸ KLKB1 P03952 3/20 0.35
▸ FOLH1 Q04609 1/20 0.35
▸ OPRK1 P41145 2/20 0.33
▸ PLG P00747 1/20 0.33
▸ F2RL1 P55085 1/20 0.32
▸ F2R P25116 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA10 Q9GZZ6 1/20 0.31
▸ CHRNA9 Q9UGM1 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ VHL P40337 1/20 0.30
▸ ELOC Q15369 1/20 0.30
▸ ELOB Q15370 1/20 0.30
▸ NMUR2 Q9GZQ4 1/20 0.30
▸ NMUR1 Q9HB89 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
SCHEMBL23180460 0.95 TTR (0.37) TTRIL2KLKB1FOLH1OPRK1
SCHEMBL24176337 0.94 TTR (0.37) TTRIL2KLKB1FOLH1OPRK1
SCHEMBL20016562 0.93 TTR (0.45) TTRIL2KLKB1FOLH1OPRK1
SCHEMBL12342493 0.89 OPRK1 (0.40) TTRIL2KLKB1FOLH1OPRK1
SCHEMBL14129393 0.89 OPRK1 (0.39) TTRIL2KLKB1FOLH1OPRK1
SCHEMBL12342513 0.89 OPRK1 (0.39) TTRIL2KLKB1FOLH1OPRK1
SCHEMBL24175888 0.88 TTR (0.40) TTRIL2FOLH1F2RL1OPRM1
SCHEMBL24335147 0.87 TTR (0.43) TTRIL2KLKB1FOLH1PLG
SCHEMBL26412265 0.86 TTR (0.42) TTRIL2KLKB1FOLH1PLG
SCHEMBL14329043 0.86 CCKBR (0.39) TTRIL2FOLH1OPRK1F2R

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-2021022678-A1 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF 烟台迈百瑞国际生物医药股份有限公司 2021-02-11 — — WO disclosed
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