SCHEMBL8923309

SCHEMBL8923309

N[C@@H](Cc1cc(CP(=O)(O)O)cc(-c2ccc3ccccc3c2)c1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ MAPK1 P28482 1/20 0.54
▸ SLC1A3 P43003 1/20 0.48
▸ SLC1A2 P43004 1/20 0.48
▸ SLC1A1 P43005 1/20 0.48

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
SCHEMBL8923310 1.00 MEN1 (0.65) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL1430608 0.87 MEN1 (0.73) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL794085 0.87 MEN1 (0.73) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL9344811 0.81 MEN1 (0.69) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL838875 0.81 MEN1 (0.72) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL30545232 0.81 MEN1 (0.72) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL838874 0.81 MEN1 (0.72) MEN1ALOX15CYP2C19KMT2AHSD17B10
SCHEMBL352750 0.81 SLC7A5 (0.62) SLC1A3SLC1A2SLC1A1
SCHEMBL30960537 0.81 SLC7A5 (0.62) SLC1A3SLC1A2SLC1A1
SCHEMBL180092 0.81 SLC7A5 (0.62) SLC1A3SLC1A2SLC1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5668121-A Glutamate (NMDA) receptor antagonists WARNER-LAMBERT COMPANY (US) 1997-09-16 — — US claimed
US-5668121-A Glutamate (NMDA) receptor antagonists WARNER-LAMBERT COMPANY (US) 1997-09-16 — — US disclosed
US-5489717-A Glutamate (NMDA) receptor antagonists WARNER-LAMBERT COMPANY 1996-02-06 — — US disclosed
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