SCHEMBL22892197

SCHEMBL22892197

CC(C)C1CC(C)C(N)C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
FUCA1 P04066 3/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
NISCH Q9Y2I1 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
SCHEMBL21626527 0.83 MEN1 (0.35) NOS3NOS1NOS2MEN1CYP1A2
SCHEMBL14707849 0.81 FUCA1 (0.52) FUCA1
SCHEMBL14707847 0.81 FUCA1 (0.52) FUCA1
SCHEMBL14707858 0.81 FUCA1 (0.52) FUCA1
SCHEMBL14707855 0.81 FUCA1 (0.52) FUCA1
SCHEMBL14707839 0.81 FUCA1 (0.52) FUCA1
SCHEMBL14707851 0.81 FUCA1 (0.52) FUCA1
SCHEMBL14707834 0.81 FUCA1 (0.52) FUCA1
SCHEMBL18940384 0.81 FUCA1 (0.52) FUCA1
SCHEMBL14707840 0.81 FUCA1 (0.52) FUCA1

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-2953950-B1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES UNIV CALIFORNIA (US) 2021-01-13 EP disclosed