SCHEMBL7834563

SCHEMBL7834563

CC(=O)NC[C@H]1[C@H](N)[C@@H](C(=O)O)C[C@H]1N

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 5/20 0.45
▸ GABRR2 P28476 1/20 0.32
▸ FUCA1 P04066 1/20 0.32
▸ GRM2 Q14416 1/20 0.30
▸ GRM3 Q14832 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ ENGASE Q8NFI3 1/20 0.30

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
Hydrochloric Acid SCHEMBL7233163 0.98 GABRR1 (0.44) GABRR1GABRR2FUCA1
Hydrochloric Acid SCHEMBL7232529 0.98 GABRR1 (0.44) GABRR1GABRR2FUCA1
SCHEMBL7896522 0.81 CYP1A2 (0.33) GABRR1
Hydrochloric Acid SCHEMBL7231566 0.80 CYP1A2 (0.32) GABRR1
SCHEMBL17249604 0.70 — —
SCHEMBL5722385 0.69 SLC6A12 (0.39) GABRR1FUCA1
Hydrochloric Acid SCHEMBL7230779 0.67 GABRR1 (0.34) GABRR1GABRR2
SCHEMBL2340458 0.67 PLG (0.42) FUCA1MTNR1AMTNR1B
SCHEMBL22571032 0.67 PLG (0.42) FUCA1MTNR1AMTNR1B
SCHEMBL2340454 0.67 PLG (0.42) FUCA1MTNR1AMTNR1B

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
WO-2001028979-A2 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 — — WO disclosed
EP-1087938-A1 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-04 — — EP disclosed
WO-1999054290-A1 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 1999-10-28 — — WO disclosed
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