SCHEMBL26922943

SCHEMBL26922943

NC[C@H](CC=O)c1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.39
▸ GABBR2 O75899 5/20 0.38
▸ GABBR1 Q9UBS5 5/20 0.38
▸ ACP3 P15309 1/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL26923060 1.00 PNMT (0.39) PNMTGABBR2GABBR1ACP3AOC3
SCHEMBL11080398 0.84 PNMT (0.48) PNMTGABBR2GABBR1ACP3AOC3
SCHEMBL26922629 0.80 HTR2A (0.41) GABBR2GABBR1TAAR1MGAMGAA
SCHEMBL26922035 0.80 HTR2A (0.41) GABBR2GABBR1TAAR1MGAMGAA
SCHEMBL31332655 0.79 PNMT (0.44) PNMTGABBR2GABBR1ACP3AOC3
SCHEMBL31332659 0.79 PNMT (0.44) PNMTGABBR2GABBR1ACP3AOC3
SCHEMBL26923676 0.79 GABBR2 (0.56) GABBR2GABBR1MEN1KMT2ALMNA
SCHEMBL26922771 0.79 GABBR2 (0.56) GABBR2GABBR1MEN1KMT2ALMNA
SCHEMBL18382609 0.79 GABBR2 (0.56) GABBR2GABBR1MEN1KMT2ALMNA
SCHEMBL19812664 0.78 GABBR2 (0.55) GABBR2GABBR1MEN1KMT2ATAAR1

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
EP-4316504-A2 COMPOUNDS Spero Therapeutics, Inc. (US) 2024-02-07 — — EP disclosed
EP-3810633-B1 COMPOUNDS SPERO THERAPEUTICS INC (US) 2023-12-13 — — EP disclosed
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