SCHEMBL27375801

SCHEMBL27375801

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.57
▸ TAAR1 Q96RJ0 3/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ ESR1 P03372 2/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.42
▸ ALPI P09923 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ YARS1 P54577 2/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ LNPEP Q9UIQ6 1/20 0.40

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
SCHEMBL8673016 1.00 SLC7A5 (0.57) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL9724064 0.91 SLC7A5 (0.57) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL8005620 0.88 ALPI (0.54) SLC7A5TAAR1SLC6A2ALPIPKM
SCHEMBL27343864 0.86 SLC7A5 (0.54) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL7366359 0.86 SLC7A5 (0.54) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL30440024 0.84 SLC7A5 (0.58) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL22229863 0.78 ANPEP (0.57) SLC7A5TAAR1SLC6A2ALPIPKM
SCHEMBL22229861 0.78 ANPEP (0.57) SLC7A5TAAR1SLC6A2ALPIPKM
Tyrosine SCHEMBL20703797 0.78 SLC7A5 (0.86) SLC7A5TAAR1SLC6A2ALPIPKM
Tyrosine SCHEMBL9937710 0.78 SLC7A5 (0.86) SLC7A5TAAR1SLC6A2ALPIPKM

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
CN-1060408-A Improved vaccine combination NORTH AMERICAN VACCINE INC (CA) 1992-04-22 — — CN claimed
CN-1056816-A The vaccine combination of improvement NORTH AMERICAN VACCINES INC (CA) 1991-12-11 — — CN claimed
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