SCHEMBL8659488

SCHEMBL8659488

CCC(N1CCN(C(C)C)CC1)N1CC(COS(C)(=O)=O)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 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
SCHEMBL8655209 0.90 HTR2B (0.36) HTR2B
SCHEMBL8654646 0.82 HTR2B (0.42) HTR2B
SCHEMBL9230346 0.82 HTR2B (0.41) HTR2B
SCHEMBL9230342 0.82 HTR2B (0.41) HTR2B
SCHEMBL7229332 0.76 HTR2B (0.38) HTR2B
SCHEMBL7310863 0.75 MAPK1 (0.40) HTR2B
SCHEMBL8655637 0.74 MAOA (0.32)
SCHEMBL7306687 0.73 MAPK1 (0.35)
SCHEMBL15247384 0.72 PTPN1 (0.37)
SCHEMBL14168007 0.71 HTR2B (0.46) HTR2B

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-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed