SCHEMBL28538964

SCHEMBL28538964

CC(C)[C@H](N)C(=O)N(c1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)[C@H](CCCNC(N)=O)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.49
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ MGLL Q99685 2/20 0.38
▸ BMP1 P13497 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL17161225 0.86 HTR2A (0.44) HTR2ADPP8DPP9MGLLBMP1
SCHEMBL15669378 0.82 HTR2A (0.40) HTR2ABMP1TGM2
SCHEMBL14957817 0.81 HTR2A (0.39) HTR2ADPP8DPP9MGLLBMP1
SCHEMBL31009020 0.78 HTR2A (0.49) HTR2ADPP8DPP9MGLLHTT
SCHEMBL15631789 0.78 HTR2A (0.49) HTR2ADPP8DPP9MGLLHTT
SCHEMBL28531327 0.77 REN (0.32) —
SCHEMBL15669247 0.77 HTR2A (0.35) HTR2ADPP8DPP9BMP1TGM2
SCHEMBL16949548 0.76 HTR2A (0.52) HTR2ADPP8DPP9MGLLHTT
SCHEMBL15676508 0.76 FAP (0.36) HTR2ADPP8DPP9BMP1HTT
SCHEMBL18949805 0.74 HTR2A (0.52) HTR2ADPP8DPP9MGLLHTT

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
CN-106795203-B Stability modulating linkers for antibody drug conjugates 辉瑞公司 2021-01-26 — — CN disclosed
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