SCHEMBL6976494

SCHEMBL6976494

CC(C)(C)OC(=O)N1CCC(CCC(CCC2CCN(C(=O)O)CC2)C(=O)NCC(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.44
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
NTSR1 P30989 1/20 0.39
EPHX2 P34913 5/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CCKBR P32239 1/20 0.37
FKBP1A P62942 1/20 0.37

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
SCHEMBL6975227 0.88 YAP1 (0.48) YAP1KDM4EPKMMEN1KMT2A
SCHEMBL6976104 0.88 YAP1 (0.47) YAP1KDM4EPKMMEN1KMT2A
SCHEMBL6971270 0.87 YAP1 (0.46) YAP1KDM4EPKMMEN1KMT2A
SCHEMBL6967985 0.86 YAP1 (0.45) YAP1KDM4EPKMMEN1KMT2A
SCHEMBL6966742 0.84 YAP1 (0.49) YAP1KDM4EPKMMEN1KMT2A
SCHEMBL6964195 0.83 YAP1 (0.45) YAP1KDM4EPKMMEN1KMT2A
SCHEMBL6976461 0.83 HRH4 (0.45) YAP1KDM4EPKMMEN1KMT2A
SCHEMBL6966451 0.78 KDM4E (0.45) YAP1KDM4EPKMMAPTGPR119
SCHEMBL6970413 0.77 BCHE (0.47) YAP1KDM4EPKMMAPTMAPK1
SCHEMBL6964406 0.74 KDM4E (0.41) YAP1KDM4EPKMMEN1KMT2A

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-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US disclosed
EP-1098878-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
WO-2000003986-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed