SCHEMBL7530940

SCHEMBL7530940

ClCCCOc1cccnc1.c1ccc(CNCCCOc2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
DRD4 P21917 5/20 0.57
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
SCN8A Q9UQD0 2/20 0.53
CHRM2 P08172 1/20 0.51
MAPK1 P28482 2/20 0.49
NMT2 O60551 1/20 0.48
NMT1 P30419 1/20 0.48
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
PPARG P37231 1/20 0.47

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
SCHEMBL7103959 0.95 DRD4 (0.64) LMNADRD4CHRNB2CHRNA4SCN8A
SCHEMBL10389955 0.84 CHRM2 (0.55) LMNADRD4CHRNB2CHRNA4SCN8A
SCHEMBL1875084 0.81 CHRNB2 (0.62) LMNACHRNB2CHRNA4
SCHEMBL30756757 0.76 CHRNB2 (0.74) DRD4CHRNB2CHRNA4DRD2DRD3
SCHEMBL7243314 0.76 CHRNB2 (0.61) LMNACHRNB2CHRNA4
SCHEMBL23067927 0.76 CHRNB2 (0.74) DRD4CHRNB2CHRNA4DRD2DRD3
SCHEMBL7098522 0.76 CHRNB2 (0.69) DRD4CHRNB2CHRNA4SCN8ADRD2
SCHEMBL7526151 0.76 CHRNB2 (0.60) CHRNB2CHRNA4
SCHEMBL7097610 0.75 SCN8A (0.58) DRD4CHRNB2CHRNA4SCN8ACHRM2
Hydrochloric Acid SCHEMBL11130174 0.75 DRD4 (0.79) DRD4SCN8ACHRM2DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441006-B2 NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-08-27 US disclosed
EP-1185513-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2000071520-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2000-11-30 WO disclosed