SCHEMBL29047166

SCHEMBL29047166

CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC#N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.47
▸ ACACB O00763 2/20 0.47
▸ ITGB2 P05107 2/20 0.45
▸ ICAM1 P05362 2/20 0.45
▸ ITGAL P20701 2/20 0.45
▸ QPCT Q16769 1/20 0.44
▸ QPCTL Q9NXS2 1/20 0.44
▸ ACE2 Q9BYF1 2/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ HTR1D P28221 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR1E P28566 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.40
▸ HRH4 Q9H3N8 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
SCHEMBL5808674 0.85 HTR1D (0.51) RENACACBITGB2ICAM1ITGAL
SCHEMBL5810648 0.83 ITGB2 (0.50) RENACACBITGB2ICAM1ITGAL
SCHEMBL5813157 0.82 ITGB2 (0.46) RENACACBITGB2ICAM1ITGAL
Water SCHEMBL8680774 0.81 ITGB2 (0.63) RENITGB2ICAM1ITGALQPCT
SCHEMBL15080457 0.81 REN (0.54) RENACACBITGB2ICAM1ITGAL
SCHEMBL5814155 0.81 HRH3 (0.47) RENITGB2ICAM1ITGALQPCT
SCHEMBL468830 0.80 ITGB2 (0.64) RENITGB2ICAM1ITGALQPCT
SCHEMBL6026427 0.80 ITGB2 (0.64) RENITGB2ICAM1ITGALQPCT
SCHEMBL15683044 0.80 ITGB2 (0.64) RENITGB2ICAM1ITGALQPCT
SCHEMBL12632551 0.78 REN (0.53) RENACACBITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812438-B Preparation method of L-carnosine 烟台万润药业有限公司 2024-12-20 — — CN disclosed
CN-118812438-B Preparation method of L-carnosine 烟台万润药业有限公司 2024-12-20 — — CN disclosed
CN-118812438-A Preparation method of L-carnosine 烟台万润药业有限公司 2024-10-22 — — CN disclosed
CN-118812438-A Preparation method of L-carnosine 烟台万润药业有限公司 2024-10-22 — — CN disclosed
CN-115197150-B Preparation method of L-carnosine 苏州富士莱医药股份有限公司 2023-08-08 — — CN disclosed
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