SCHEMBL7369877

SCHEMBL7369877

O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.92

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.77
DRD2 P14416 5/20 0.77
DRD4 P21917 2/20 0.77
HTR1A P08908 1/20 0.72
HTR2A P28223 1/20 0.72
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
MAPT P10636 1/20 0.66
POLB P06746 1/20 0.65
HSD17B10 Q99714 1/20 0.65

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
SCHEMBL31061220 0.96 DRD3 (0.84) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL10720845 0.91 ALDH1A1 (0.76) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL2355678 0.91 DRD3 (0.72) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL7371815 0.91 DRD2 (0.84) DRD3DRD2DRD4HTR1APOLB
SCHEMBL18507057 0.89 DRD3 (0.70) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL10723691 0.88 ALDH1A1 (0.72) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL7369645 0.88 KDM4E (0.70) DRD3DRD2DRD4KDM4EALDH1A1
SCHEMBL1727871 0.87 DRD2 (0.71) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL7132544 0.87 DRD2 (0.74) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL16227646 0.86 ALDH1A1 (0.69) DRD3DRD2DRD4HTR1AHTR2A

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
EP-0714292-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE INC (US) 1996-10-09 EP claimed
EP-0714292-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-06-05 EP claimed
WO-1995000131-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE, INCORPORATED (US) 1995-01-05 WO claimed