SCHEMBL7310819

SCHEMBL7310819

CC(C)(C)OC(=O)NC(=N)N1CCC(N2CC(CN3CCN(CCC(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.39
SIGMAR1 Q99720 3/20 0.31
KCNA3 P22001 1/20 0.31
USP30 Q70CQ3 1/20 0.31
DRD2 P14416 1/20 0.30

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
SCHEMBL7311107 0.95 HTR2B (0.38) HTR2BSIGMAR1
SCHEMBL7311231 0.92 HTR2B (0.36) HTR2BUSP30
SCHEMBL7314926 0.91 HTR2B (0.40) HTR2BUSP30DRD2
SCHEMBL7316515 0.89 HTR2B (0.35) HTR2BSIGMAR1DRD2
SCHEMBL7303264 0.87 HTR2B (0.38) HTR2BUSP30DRD2
SCHEMBL7316461 0.86 DRD2 (0.34) HTR2BSIGMAR1KCNA3DRD2
SCHEMBL7310427 0.86 HTR2B (0.43) HTR2BUSP30
SCHEMBL7308728 0.86 SIGMAR1 (0.34) HTR2BSIGMAR1KCNA3
SCHEMBL7316507 0.85 FAAH (0.33) SIGMAR1DRD2
SCHEMBL7309520 0.84 SIGMAR1 (0.36) HTR2BSIGMAR1DRD2

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-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed