SCHEMBL5035553

SCHEMBL5035553

O=CC(OC(c1ccccc1)c1ccccc1)N1CCN(Cc2cc(-c3ccccc3)no2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.51
DRD4 P21917 10/20 0.51
DRD3 P35462 10/20 0.51
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
IL4I1 Q96RQ9 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL5032611 0.81 DRD2 (0.53) DRD2DRD4DRD3SMN1; SMN2MAPT
SCHEMBL4271450 0.81 DRD2 (0.73) DRD2DRD4DRD3SMN1; SMN2MAPT
SCHEMBL4271439 0.77 DRD2 (0.46) DRD2DRD4DRD3SMN1; SMN2MAPT
SCHEMBL13625846 0.73 SMN1; SMN2 (0.53) DRD2DRD4DRD3SMN1; SMN2MAPT
SCHEMBL4307364 0.73 NOTUM (0.56) DRD2DRD4DRD3SMN1; SMN2MAPT
SCHEMBL4277851 0.73 CACNA2D1 (0.49) DRD2DRD4DRD3SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8577214 0.72 DRD2 (0.56) DRD2DRD4DRD3SMN1; SMN2MAPT
SCHEMBL8229282 0.72 DRD2 (0.49) DRD2DRD4DRD3SMN1; SMN2MAPT
SCHEMBL13609767 0.72 DRD2 (0.47) DRD2DRD4DRD3SMN1; SMN2MAPT
SCHEMBL5048004 0.72 ATM (0.41) DRD2DRD4DRD3SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007759-A1 ISOXAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-12-31 EP claimed
WO-2007118323-A1 ISOXAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-10-25 WO claimed