SCHEMBL6749986

SCHEMBL6749986

COC(=O)c1cc(CN(CC2CCN(C(=O)OC(C)(C)C)CC2)C(C)=O)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.43
SLC2A1 P11166 1/20 0.42
MCHR1 Q99705 7/20 0.41
HRH3 Q9Y5N1 6/20 0.41
NOTCH1 P46531 1/20 0.41
MGLL Q99685 1/20 0.41
LIMK2 P53671 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL7038572 0.92 GPR119 (0.41) GPR119SLC2A1MCHR1HRH3NOTCH1
SCHEMBL6812071 0.91 GPR119 (0.42) GPR119SLC2A1MCHR1HRH3NOTCH1
SCHEMBL6318034 0.85 KDM4E (0.46) GPR119NOTCH1MGLLKDM4EPKM
SCHEMBL7038825 0.85 NOTCH1 (0.44) GPR119SLC2A1NOTCH1MGLLKDM4E
SCHEMBL6750024 0.79 NOTCH1 (0.44) GPR119NOTCH1MGLLKDM4EPKM
SCHEMBL6831982 0.79 NOTCH1 (0.41) GPR119NOTCH1MGLLKDM4EPKM
SCHEMBL6831983 0.79 NOTCH1 (0.41) GPR119NOTCH1MGLLKDM4EPKM
SCHEMBL6817721 0.78 MCHR1 (0.43) SLC2A1MCHR1HRH3
SCHEMBL6831986 0.78 KDM4E (0.48) GPR119NOTCH1MGLLKDM4EPKM
SCHEMBL27459780 0.77 MGLL (0.44) GPR119NOTCH1MGLLKDM4EPKM

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-1043310-B1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LTD (JP) 2004-06-09 EP disclosed
US-6706745-B1 THERAPY FOR ANTICOAGULATION PLAYS AN IMPORTANT PART IN THE MEDICAL TREATMENT AND PROPHYLAXIS OF THROMBOEMBOLISMS TEIJIN LIMITED (JP) 2004-03-16 US disclosed
EP-1043310-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 EP disclosed