SCHEMBL8485571

SCHEMBL8485571

c1cnc(N2CCN(CCNc3[nH]cc4ccccc34)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
DRD4 P21917 1/20 0.49
PIM1 P11309 1/20 0.48
HTR1A P08908 4/20 0.44
HTR2A P28223 2/20 0.44
ACHE P22303 2/20 0.43
KDM1A O60341 1/20 0.42

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
SCHEMBL8912854 0.93 HTR1A (0.48) DRD2DRD3LMNAPOLBTSHR
SCHEMBL8485478 0.78 DRD3 (0.58) DRD2DRD3PIM1HTR1AHTR2A
SCHEMBL8690409 0.77 HTR7 (0.52) DRD2DRD3HTR1AHTR2A
Bromide SCHEMBL8486561 0.76 HTR7 (0.51) DRD2DRD3HTR1AHTR2A
SCHEMBL8716529 0.74 SLC6A4 (0.51) DRD2DRD3POLBDRD4HTR1A
SCHEMBL978209 0.74 DRD2 (0.58) DRD2DRD3DRD4PIM1HTR1A
SCHEMBL7212266 0.73 HTR1A (0.64) DRD2DRD3HTTDRD4PIM1
Bromide SCHEMBL7212285 0.72 HTR1A (0.62) DRD2DRD3HTTDRD4PIM1
SCHEMBL8488127 0.71 DRD3 (0.64) DRD2DRD3HTR1AHTR2AACHE
SCHEMBL8581543 0.71 DRD2 (0.69) DRD2DRD3DRD4HTR1AHTR2A

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
WO-1999021848-A2 NOVEL 1-(N'-(ARYLALKYLAMINOALKYL))AMINOISOINDOLES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-05-06 WO claimed
WO-1998029410-A1 1-(N'-(ARYLALKYLAMINOALKYL)) AMINOISOINDOLES; DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-07-09 WO claimed
US-5656632-A 1-(N'-(arylalkylaminoalkyl)) aminoisoindoles; dopamine receptor subtype specific ligands NEUROGEN CORPORATION (US) 1997-08-12 US claimed
WO-1996039403-A1 1-(N'-(ARYLALKYLAMINOALKYL)) AMINOISOINDOLES AS DOPAMINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1996-12-12 WO claimed