SCHEMBL29800397

SCHEMBL29800397

CN(N)[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.58
TAAR1 Q96RJ0 3/20 0.48
SLC6A2 P23975 1/20 0.48
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
FOLH1 Q04609 1/20 0.44
CA2 P00918 2/20 0.42
CAMK2A Q9UQM7 1/20 0.42
BLM P54132 1/20 0.42
POLB P06746 1/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRM1 P35372 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.41

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
SCHEMBL38225 0.87 SLC7A5 (0.55) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL38224 0.87 SLC7A5 (0.55) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL21899391 0.87 SLC7A5 (0.55) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL5352342 0.86 SLC7A5 (0.58) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL9181514 0.86 PPARG (0.44) SLC7A5ESR1BLM
SCHEMBL9177995 0.85 ALPI (0.55) SLC7A5FOLH1BLMPOLB
SCHEMBL27626196 0.85 ALPI (0.55) SLC7A5FOLH1BLMPOLB
SCHEMBL1081375 0.84 SLC7A5 (0.51) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL27669804 0.84 SLC7A5 (0.51) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL1081374 0.84 SLC7A5 (0.51) SLC7A5TAAR1SLC6A2ESR1ESR2

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-114805528-A Cystine knot scaffold platform 豪夫迈·罗氏有限公司 2022-07-29 CN disclosed