SCHEMBL8325276

SCHEMBL8325276

CCOC(=O)COc1ccc(C=Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
ABCB1 P08183 2/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 5/20 0.49
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C19 P33261 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
METAP1 P53582 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 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
SCHEMBL8661802 1.00 NPSR1 (0.51) NPSR1ABCB1ATMMAPTLMNA
SCHEMBL12814098 0.95 NPSR1 (0.55) NPSR1ATMMAPTLMNAALDH1A1
SCHEMBL8323807 0.88 ABCB1 (0.52) NPSR1ABCB1MAPTLMNAALDH1A1
SCHEMBL22911172 0.85 MAPT (0.58) NPSR1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7365804 0.84 GPR119 (0.56) NPSR1ATMGPR119
SCHEMBL7369010 0.83 MAPT (0.59) NPSR1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL24378197 0.83 MAPT (0.61) NPSR1MAPTLMNAALDH1A1GAA
SCHEMBL7364473 0.83 GPR119 (0.53) ABCB1ATMMAPTLMNAALDH1A1
SCHEMBL4719112 0.83 ABCB1 (0.56) NPSR1ABCB1MAPTLMNAALDH1A1
SCHEMBL4719115 0.83 ABCB1 (0.56) NPSR1ABCB1MAPTLMNAALDH1A1

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 4 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
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed