SCHEMBL2185662

SCHEMBL2185662

C[Sn](C)(C)c1cncc(OC[C@]2(C(=O)OCc3ccccc3)CCN2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
GRM5 P41594 1/20 0.34

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
SCHEMBL2184830 0.80 CHRNB2 (0.40) MEN1HTTGFERKMT2AHSD17B10
SCHEMBL2185877 0.79 CFD (0.44) MEN1HTTGFERKMT2AHSD17B10
SCHEMBL2186288 0.79 CYP4F2 (0.40) MEN1HTTGFERKMT2AHSD17B10
SCHEMBL7409828 0.79 P4HTM (0.41) DDB1CRBN
SCHEMBL7412039 0.77 P4HTM (0.39) DDB1CRBN
SCHEMBL6835447 0.74 PDGFRB (0.46) MEN1KMT2A
SCHEMBL2185665 0.72 CHRNB2 (0.44)
SCHEMBL2185542 0.70 AKT1 (0.36)
SCHEMBL11953966 0.65 TACR1 (0.46) DDB1CRBNGRM5
SCHEMBL25554836 0.65 CYP2D6 (0.47) DDB1CRBN

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
EP-2342192-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF Psychogenics Inc. (US) 2011-07-13 EP disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 WO disclosed