SCHEMBL8323807

SCHEMBL8323807

CC(C)(C)OC(=O)N1CCN(c2ccc(C=Cc3ccc(OCC(=O)O)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.52
MAPT P10636 4/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
MAPK1 P28482 1/20 0.48
GPR119 Q8TDV5 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.46
NAMPT P43490 1/20 0.46
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8325276 0.88 NPSR1 (0.51) ABCB1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8661802 0.88 NPSR1 (0.51) ABCB1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL22911172 0.83 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL8664298 0.82 MAPT (0.59) MAPTLMNAALDH1A1SMN1; SMN2ITGB3
SCHEMBL8661753 0.82 MAPT (0.59) MAPTLMNAALDH1A1SMN1; SMN2ITGB3
SCHEMBL12814098 0.82 NPSR1 (0.55) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7369010 0.81 MAPT (0.59) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL8663767 0.81 MAPT (0.50) MAPTLMNAALDH1A1SMN1; SMN2ITGB3
SCHEMBL24378197 0.81 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL5573222 0.79 MAPT (0.76) MAPTLMNAALDH1A1SMN1; SMN2GPR119

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
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed