SCHEMBL8585993

SCHEMBL8585993

COC(=O)[C@@]1(N)CC=CCCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL13977917 0.89 NPSR1 (0.33) NPSR1
SCHEMBL3923179 0.82 NPSR1 (0.34) NPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL3923173 0.81 NPSR1 (0.33) NPSR1MEN1KMT2A
SCHEMBL1810646 0.79 NPSR1 (0.36) NPSR1MEN1CYP3A4KMT2ACYP4F2
SCHEMBL331908 0.76 NPSR1 (0.50) NPSR1MEN1CYP3A4KMT2ACYP4F2
SCHEMBL1433032 0.76
SCHEMBL1809800 0.74 NPSR1 (0.48) NPSR1MEN1CYP3A4KMT2ACYP4F2
SCHEMBL240008 0.74 NPSR1 (0.48) NPSR1MEN1CYP3A4KMT2ACYP4F2
SCHEMBL1772581 0.74 NPSR1 (0.48) NPSR1MEN1CYP3A4KMT2ACYP4F2
Hydrochloric Acid SCHEMBL375108 0.74 NPSR1 (0.43) NPSR1MEN1CYP3A4KMT2ACYP4F2

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
WO-1998030535-A1 AMINO ACID COMPOUNDS COCKBAIN JULIAN (GB) 1998-07-16 WO disclosed