SCHEMBL7908714

SCHEMBL7908714

CCC1CCN(CN)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
GNAO1 P09471 3/20 0.35
GNAI3 P08754 2/20 0.35
GNAI1 P63096 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PRMT3 O60678 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT1 Q99873 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
CXCR4 P61073 1/20 0.32
ACHE P22303 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL9231654 0.86
SCHEMBL1628330 0.81 ALOX15 (0.52) NCF1GNAO1GNAI3GNAI1PRMT3
Hydrochloric Acid SCHEMBL598320 0.79 GNAO1 (0.54) NCF1GNAO1GNAI3GNAI1PRMT3
SCHEMBL14890554 0.79 NCF1 (0.56) NCF1GNAO1GNAI3GNAI1PRMT3
SCHEMBL178287 0.79 SMN1; SMN2 (0.46) NCF1SMN1; SMN2ACHEHRH3
SCHEMBL2207870 0.78 KEAP1 (0.47) NCF1GNAO1GNAI3GNAI1SMN1; SMN2
Fluoride SCHEMBL29252276 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ACHEHRH3
SCHEMBL8435896 0.76 NCF1 (0.38) NCF1GNAO1GNAI3GNAI1PRMT3
SCHEMBL23828683 0.75 GNAO1 (0.46) GNAO1GNAI3GNAI1HRH3
SCHEMBL772033 0.75 NCF1 (0.36) NCF1GNAO1SMN1; SMN2ACHEHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021194878-A1 SELECTIVE MODULATORS OF MUTANT LRRK2 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-09-30 WO disclosed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 WO disclosed