SCHEMBL8617256

SCHEMBL8617256

CC(C)(C)OC(=O)CC1CCCN(CCc2ccncc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
HRH3 Q9Y5N1 8/20 0.42
CYP19A1 P11511 3/20 0.37
KDM4D Q6B0I6 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL8619188 0.94 HRH3 (0.38) ITGB3ITGA2BHRH3CYP19A1KDM4D
SCHEMBL8621921 0.86 ITGB3 (0.58) ITGB3ITGA2BHRH3
SCHEMBL7371673 0.83 ITGB3 (0.51) ITGB3ITGA2BHRH3L3MBTL1TDP1
SCHEMBL8616963 0.75 HRH3 (0.47) HRH3CYP19A1L3MBTL1TDP1CYP1A2
SCHEMBL7337926 0.75 KDM4D (0.39) HRH3CYP19A1KDM4DL3MBTL1GPR119
SCHEMBL8624634 0.73 HRH3 (0.44) HRH3L3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL2565333 0.72 ACE (0.49) ITGB3ITGA2BL3MBTL1
SCHEMBL7342690 0.71 ITGB3 (0.55) ITGB3ITGA2BHRH3L3MBTL1TDP1
SCHEMBL7342693 0.71 ITGB3 (0.79) ITGB3ITGA2BHRH3
SCHEMBL7311668 0.70 DDB1 (0.40) L3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed