SCHEMBL30913990

SCHEMBL30913990

CCCCCC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)C(=O)NCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.44
▸ CCR2 P41597 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ DEGS1 O15121 1/20 0.40
▸ NAAA Q02083 3/20 0.39
▸ CETP P11597 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ FAAH O00519 1/20 0.37

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
SCHEMBL25008465 0.84 CTSL (0.40) NOD1CCR2CTSLCTSB
SCHEMBL30913979 0.83 CTSL (0.48) CTSLCTSB
SCHEMBL30914020 0.83 CTSL (0.48) CTSLCTSB
SCHEMBL30913966 0.79 NOD1 (0.49) NOD1CCR2NAAACTSLCTSB
SCHEMBL30913963 0.78 CCR2 (0.49) NOD1CCR2MEN1KMT2ADEGS1
SCHEMBL30914004 0.77 CTSL (0.48) CTSLCTSB
SCHEMBL30913965 0.76 CCR2 (0.47) NOD1CCR2
SCHEMBL23866545 0.75 METAP2 (0.54) CCR2CTSLCTSB
SCHEMBL30914028 0.74 CTSL (0.49) CTSLCTSB
SCHEMBL30291788 0.74 CCR2 (0.40) NOD1CCR2

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-118103351-A Coronavirus inhibitors 共晶制药公司 2024-05-28 — — CN disclosed
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