SCHEMBL9614199

SCHEMBL9614199

C[C@@H](NC(=O)[C@]1(CC(C)(C)C)CCCN1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.36
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 7/20 0.36
MME P08473 1/20 0.35
LTA4H P09960 1/20 0.33
KCNH2 Q12809 1/20 0.31
ARG1 P05089 1/20 0.31
ARG2 P78540 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
SCHEMBL7912477 0.73 MME (0.33) MMELTA4H
SCHEMBL10771060 0.73 MME (0.33) MMELTA4H
SCHEMBL23128322 0.64 SLC6A2 (0.43) CYP2D6SLC6A2SLC6A4SLC6A3MME
SCHEMBL24636252 0.62 ARG1 (0.39) CYP2D6SLC6A2SLC6A4SLC6A3ARG1
SCHEMBL24636199 0.62 ARG1 (0.39) CYP2D6SLC6A2SLC6A4SLC6A3ARG1
SCHEMBL24636215 0.62 ARG1 (0.39) CYP2D6SLC6A2SLC6A4SLC6A3ARG1
SCHEMBL24636213 0.62 ARG1 (0.39) CYP2D6SLC6A2SLC6A4SLC6A3ARG1
SCHEMBL1025477 0.60 ARG1 (0.41) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1025995 0.60 ARG1 (0.41) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL20814139 0.60 ARG1 (0.38) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2

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-0448687-A4 THERAPEUTIC DECAPEPTIDES 1992-04-01 EP claimed
EP-0448687-A1 THERAPEUTIC DECAPEPTIDES The Administrators of The Tulane Educational Fund (US) 1991-10-02 EP claimed
WO-1991005563-A1 THERAPEUTIC DECAPEPTIDES THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1991-05-02 WO claimed