SCHEMBL7311445

SCHEMBL7311445

CC(C)N1CCC(N2CC(CN3CCC(CC(=O)O)(C(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.46
SIGMAR1 Q99720 13/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8858138 0.89 L3MBTL1 (0.39) HTR2BSIGMAR1L3MBTL1
SCHEMBL7301029 0.89 HTR2B (0.43) HTR2BSIGMAR1
SCHEMBL7308689 0.83 HTR2B (0.54) HTR2BSIGMAR1PARP1PARP2
SCHEMBL7305387 0.83 HTR2B (0.36) HTR2BSIGMAR1
SCHEMBL7310988 0.81 HTR2B (0.52) HTR2BPARP1PARP2
SCHEMBL7309946 0.81 L3MBTL1 (0.43) HTR2BSIGMAR1L3MBTL1
SCHEMBL7314744 0.80 HTR2B (0.40) HTR2BSIGMAR1L3MBTL1
SCHEMBL7314426 0.80 HTR2B (0.50) HTR2BPARP1PARP2
SCHEMBL8858167 0.79 HTR2B (0.36) HTR2BSIGMAR1
SCHEMBL7302525 0.76 HTR2B (0.48) HTR2BSIGMAR1PARP1PARP2

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
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed