SCHEMBL7339183

SCHEMBL7339183

CCOC(=O)[C@@H](N)Cc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.54
ROCK2 O75116 1/20 0.46
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
DPP4 P27487 3/20 0.46
DPP7 Q9UHL4 2/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
SLC7A5 Q01650 2/20 0.45
MAOB P27338 2/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
ROCK1 Q13464 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43

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
SCHEMBL839832 1.00 SLC1A1 (0.54) SLC1A1ROCK2LMNAGLADPP4
SCHEMBL839078 1.00 SLC1A1 (0.54) SLC1A1ROCK2LMNAGLADPP4
Hydrochloric Acid SCHEMBL6379455 0.99 SLC1A1 (0.52) SLC1A1ROCK2LMNAGLADPP4
SCHEMBL6162540 0.87 SLC1A1 (0.55) SLC1A1ROCK2DPP4DPP7DPP8
SCHEMBL75362 0.87 SLC1A1 (0.55) SLC1A1ROCK2DPP4DPP7DPP8
SCHEMBL5739966 0.87 SLC1A1 (0.55) SLC1A1ROCK2DPP4DPP7DPP8
SCHEMBL17081906 0.86 SLC1A1 (0.49) SLC1A1ROCK2DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL32677237 0.85 SLC1A1 (0.54) SLC1A1ROCK2DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL6164874 0.85 SLC1A1 (0.54) SLC1A1ROCK2DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL75361 0.85 SLC1A1 (0.54) SLC1A1ROCK2DPP4DPP7DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP disclosed
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP disclosed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed
US-4857553-A SIDE EFFECT REDUCTION A. H. ROBINS COMPANY, INCORPORATED (US) 1989-08-15 US disclosed
EP-0302757-A2 Anti-emetic serotonin depleting agents A.H. ROBINS COMPANY, INCORPORATED (US) 1989-02-08 EP disclosed