SCHEMBL6557404

SCHEMBL6557404

[CH2]c1ccc(C2CCCN2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNA4 P43681 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MKNK1 Q9BUB5 1/20 0.47
MEN1 O00255 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CHRM5 P08912 5/20 0.43
CHRM3 P20309 5/20 0.43
CHRM2 P08172 5/20 0.43
CHRM1 P11229 4/20 0.43
CHRM4 P08173 4/20 0.43

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
SCHEMBL3081329 0.94 MEN1 (0.51) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL24775559 0.81 CHRNB2 (0.52) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL1673367 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL169110 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL169111 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL6179150 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL2239954 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL1780308 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL3333837 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1
SCHEMBL1778807 0.79 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MKNK1

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-1392643-A2 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002094767-A2 TRISUBSTITUTED-N-[(1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LABORATORIES (US) 2002-11-28 WO disclosed