SCHEMBL9024037

SCHEMBL9024037

O=C(Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)nc1)C1=CC=CCC1=S

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.55
DRD3 P35462 6/20 0.55
DRD4 P21917 5/20 0.55
HTR1A P08908 2/20 0.41

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
SCHEMBL8907983 0.83 DRD2 (0.66) DRD2DRD3DRD4HTR1A
SCHEMBL8906340 0.80 DRD2 (0.59) DRD2DRD3DRD4HTR1A
SCHEMBL8906697 0.79 DRD2 (0.72) DRD2DRD3DRD4HTR1A
SCHEMBL8907838 0.77 DRD2 (0.66) DRD2DRD3DRD4HTR1A
SCHEMBL8907640 0.76 DRD2 (0.67) DRD2DRD3DRD4HTR1A
SCHEMBL9710672 0.73 DRD2 (0.55) DRD2DRD3DRD4
SCHEMBL8906622 0.72 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL8906889 0.72 DRD2 (0.72) DRD2DRD3DRD4HTR1A
SCHEMBL8906947 0.70 DRD2 (0.70) DRD2DRD3DRD4HTR1A
SCHEMBL8906529 0.70 DRD2 (0.66) DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556332-B1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 1996-03-20 EP claimed