SCHEMBL7301029

SCHEMBL7301029

CN1CCC(N2CC(CN3CCC(CC(=O)O)(C(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.43
SIGMAR1 Q99720 15/20 0.35
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7311445 0.89 HTR2B (0.46) HTR2BSIGMAR1
SCHEMBL8858167 0.89 HTR2B (0.36) HTR2BSIGMAR1
SCHEMBL7310299 0.82 HTR2B (0.51) HTR2BSIGMAR1
SCHEMBL7305444 0.81 HTR2B (0.50) HTR2BSIGMAR1
SCHEMBL7303510 0.81 HTR2B (0.35) HTR2BSIGMAR1CYP2C19
SCHEMBL7307030 0.80 HTR2B (0.38) HTR2BSIGMAR1
SCHEMBL7303482 0.79 HTR2B (0.48) HTR2B
SCHEMBL8858138 0.79 L3MBTL1 (0.39) HTR2BSIGMAR1
SCHEMBL7313116 0.75 SIGMAR1 (0.34) HTR2BSIGMAR1CYP2C19
SCHEMBL7307896 0.75 HTR2B (0.46) HTR2BSIGMAR1

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