SCHEMBL4005463

SCHEMBL4005463

c1csc(-c2nc(-c3cncc(N4CC5CNC(C5)C4)c3)cs2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRNB4 P30926 5/20 0.42
CHRNA3 P32297 5/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL4005161 0.87 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4005804 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3HTT
SCHEMBL13767937 0.78 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4012065 0.74 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4007434 0.74 CHRNB4 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4003627 0.74 CHRNB4 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13767889 0.72 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4012932 0.72 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4012353 0.71 CHRNB4 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4008509 0.71 CHRNB4 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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-2009081246-A2 BICYCLIC DIAMINES AS NICOTINIC RECEPTOR AGONISTS PFIZER INC. (US) 2009-07-02 WO claimed
WO-2009081246-A2 BICYCLIC DIAMINES AS NICOTINIC RECEPTOR AGONISTS PFIZER INC. (US) 2009-07-02 WO disclosed