SCHEMBL28186958

SCHEMBL28186958

COC(=O)C1CCCN1C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.56
▸ CTSL P07711 2/20 0.56
▸ CTSS P25774 1/20 0.56
▸ CTSK P43235 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CCKAR P32238 2/20 0.55
▸ CCKBR P32239 1/20 0.54
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53

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
SCHEMBL15785202 0.92 CTSL (0.59) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL30643065 0.92 CTSL (0.59) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL27726223 0.86 TACR1 (0.56) TACR1CTSLCTSSCTSKMEN1
SCHEMBL27705684 0.86 TACR1 (0.56) TACR1CTSLCTSSCTSKMEN1
SCHEMBL1291129 0.83 CCKBR (0.54) CCKARCCKBR
SCHEMBL28002546 0.83 KLK5 (0.69) KMT2A
SCHEMBL28002552 0.83 KLK5 (0.69) KMT2A
SCHEMBL12658455 0.83 KLK5 (0.69) KMT2A
SCHEMBL7268512 0.83 KLK5 (0.69) KMT2A
SCHEMBL16667737 0.82 DPP4 (0.68) MEN1KMT2AMAPT

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-104363756-B Agricultural plant-protecting agent containing dipeptide derivative as active ingredient 农村振兴厅 2017-10-31 — — CN disclosed
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