SCHEMBL9637006

SCHEMBL9637006

CC(C)(C)OC(=O)OC(=O)[C@]1(CN)CCCN1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
CYP2D6 P10635 3/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 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
SCHEMBL9730898 1.00 ARG1 (0.32) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL7728931 0.81 HCRTR2 (0.34)
SCHEMBL8149234 0.81 HCRTR2 (0.34)
SCHEMBL8145398 0.79 EPHX1 (0.37) ARG1ARG2
SCHEMBL7379886 0.78 HRH3 (0.46) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL28175527 0.78 ARG1 (0.38) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL9637164 0.78
SCHEMBL5123125 0.78
SCHEMBL27190616 0.77 HRH3 (0.38) CYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28174609 0.77 ARG1 (0.37) ARG1ARG2CYP2D6SLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493506-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1992-07-08 EP disclosed
US-5120859-A Anticoagulants GENENTECH, INC. (US) 1992-06-09 US disclosed
WO-1991004247-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1991-04-04 WO disclosed