SCHEMBL29002721

SCHEMBL29002721

COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.48
▸ HTR2C P28335 2/20 0.48
▸ HTR1E P28566 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ CCR2 P41597 2/20 0.48
▸ SLC6A5 Q9Y345 1/20 0.47
▸ ITGB2 P05107 2/20 0.46
▸ ICAM1 P05362 2/20 0.46
▸ ITGAL P20701 2/20 0.46
▸ SLC15A2 Q16348 1/20 0.45
▸ PDE5A O76074 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ BRD2 P25440 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 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
SCHEMBL5808674 0.85 HTR1D (0.51) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL28171998 0.85 ITGB2 (0.58) SLC6A5ITGB2ICAM1ITGALSLC15A2
SCHEMBL7598348 0.85 ITGB2 (0.55) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL16551861 0.85 CYP3A4 (0.52) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL18381307 0.85 CYP3A4 (0.52) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL19051483 0.85 SLC6A5 (0.53) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL19059622 0.84 SLC6A5 (0.49) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL13912236 0.83 HTR1D (0.49) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL19051460 0.83 SLC15A2 (0.54) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL10664287 0.82 CYP3A4 (0.49) HTR1DHTR2CHTR1EHTR2BHTR2A

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-116143867-A Method for preparing GHK tripeptide and blue copper peptide without condensing agent 上海锐康生物技术研发有限公司 2023-05-23 — — CN disclosed
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