SCHEMBL7211587

SCHEMBL7211587

C1=C(c2cccnc2)C[C@H]2CCCC1N2Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
TRPV6 Q9H1D0 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
DHPS P49366 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38

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
SCHEMBL7210011 1.00 CHRNB2 (0.47) CHRNB2CHRNA4L3MBTL1TRPV6CYP2E1
SCHEMBL1335575 0.93 CHRNB2 (0.45) CHRNB2CHRNA4L3MBTL1CYP2E1CYP3A4
SCHEMBL1335572 0.93 CHRNB2 (0.45) CHRNB2CHRNA4L3MBTL1CYP2E1CYP3A4
SCHEMBL7210337 0.84 CHRNB2 (0.50) CHRNB2CHRNA4CYP2E1CYP3A4CYP2A6
SCHEMBL1335565 0.81 SLC6A2 (0.40) TEK
SCHEMBL1513406 0.80 SLC6A2 (0.49) CHRNB2CHRNA4CHRNA7
SCHEMBL1334755 0.79 SLC6A2 (0.41) TRPV6
SCHEMBL7210016 0.78 SLC6A2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7209988 0.78 SLC6A2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13850003 0.75 SLC6A2 (0.51) CHRNB2CHRNA4CYP3A4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984966-B1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH AS (DK) 2003-01-29 EP disclosed
US-6392045-B1 9-azobicyclo[3.3.1] non-2-ene derivatives as cholinergic ligands at nicotinic ACH receptors NEUROSEARCH A/S (DK) 2002-05-21 US disclosed
EP-0984966-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 2000-03-15 EP disclosed
WO-1998054182-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 1998-12-03 WO disclosed