SCHEMBL30364805

SCHEMBL30364805

C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.50
▸ OPRM1 P35372 4/20 0.50
▸ OPRK1 P41145 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ CTSC P53634 1/20 0.49
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CTSS P25774 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP9 P14780 1/20 0.45

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
SCHEMBL24833948 0.97 CTSC (0.51) OPRD1OPRM1OPRK1TDP1CTSC
SCHEMBL30645049 0.97 CTSC (0.51) OPRD1OPRM1OPRK1TDP1CTSC
SCHEMBL30064540 0.92 OPRD1 (0.53) OPRD1OPRM1OPRK1TDP1ALDH1A1
SCHEMBL30064522 0.85 CTSD (0.53) OPRK1CTSCCTSSCTSLCTSB
SCHEMBL13135022 0.84 MAPT (0.57) OPRD1OPRM1OPRK1CTSCALDH1A1
SCHEMBL9813890 0.83 POLB (0.57) TDP1POLBNPSR1MMP1MMP3
SCHEMBL29918173 0.83 CTSS (0.64) CTSSCTSLCTSBCTSK
SCHEMBL30051597 0.83 LTA4H (0.61) OPRD1OPRM1OPRK1CTSCSLC7A5
SCHEMBL30252512 0.83 LTA4H (0.61) OPRD1OPRM1OPRK1CTSCSLC7A5
SCHEMBL5497789 0.82 METAP2 (0.60) OPRD1OPRM1OPRK1CTSCSLC7A5

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-112020492-B Method for producing amide compound 学校法人中部大学 2023-05-05 — — CN disclosed
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