SCHEMBL28778341

SCHEMBL28778341

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.46
▸ CCR2 P41597 2/20 0.46
▸ HTR1D P28221 2/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ HTR1E P28566 2/20 0.44
▸ HTR2B P41595 2/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ REN P00797 3/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.42
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALOX5 P09917 1/20 0.40

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
SCHEMBL27944725 0.90 SLC6A5 (0.57) SLC6A5RENITGB2ICAM1ITGAL
SCHEMBL1486141 0.85 REN (0.49) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL18814494 0.85 REN (0.49) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL19051483 0.85 SLC6A5 (0.53) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL18381307 0.82 CYP3A4 (0.52) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL16551861 0.82 CYP3A4 (0.52) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL19059622 0.81 SLC6A5 (0.49) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL19051460 0.81 SLC15A2 (0.54) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL29002721 0.80 HTR1D (0.48) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL27926539 0.80 SLC6A5 (0.70) SLC6A5CCR2HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436970-A Method for preparing L-carnosine acetate 江苏金斯瑞生物科技有限公司 2022-05-06 — — CN claimed
CN-114436970-A Method for preparing L-carnosine acetate 江苏金斯瑞生物科技有限公司 2022-05-06 — — CN disclosed
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