SCHEMBL3249791

SCHEMBL3249791

O=C1NCC2CCC1CC2

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30

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
SCHEMBL4994284 0.85
SCHEMBL22188609 0.76
SCHEMBL5386313 0.67 DAO (0.35)
SCHEMBL13958289 0.64 HSD11B1 (0.32)
SCHEMBL5917174 0.62
SCHEMBL18289451 0.61 SLC6A3 (0.41)
SCHEMBL85907 0.61
SCHEMBL7621501 0.60
SCHEMBL28782931 0.60
SCHEMBL22570557 0.60 MTNR1A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010063784-A1 NOVEL DIAZA-BICYCLONONYL-PHENYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-06-10 WO disclosed
EP-2029594-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2009-03-04 EP disclosed
WO-2007135120-A1 NOVEL 1,4-DIAZA-BICYCLO[3.2.2]NONANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-11-29 WO disclosed
EP-1551835-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NeuroSearch A/S (DK) 2005-07-13 EP disclosed
WO-2004029053-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2004-04-08 WO disclosed