SCHEMBL9710672

SCHEMBL9710672

CC(=O)Nc1ccnc(C#CCCN2CC=C(c3ccccc3)CC2)c1

nearest known ligand 0.64

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
SIGMAR1 Q99720 1/20 0.43

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 0.86 DRD2 (0.66) DRD2DRD3DRD4
SCHEMBL8906710 0.82 DRD2 (0.66) DRD2DRD3DRD4
SCHEMBL8908112 0.79 DRD2 (0.72) DRD2DRD3DRD4SIGMAR1
SCHEMBL8907863 0.79 DRD2 (0.66) DRD2DRD3DRD4SIGMAR1
SCHEMBL8906697 0.75 DRD2 (0.72) DRD2DRD3DRD4
SCHEMBL8907640 0.74 DRD2 (0.67) DRD2DRD3DRD4
SCHEMBL8907838 0.73 DRD2 (0.66) DRD2DRD3DRD4
SCHEMBL9024037 0.73 DRD2 (0.55) DRD2DRD3DRD4
SCHEMBL6963721 0.72 DRD2 (0.69) DRD2DRD3DRD4SIGMAR1
SCHEMBL8906340 0.72 DRD2 (0.59) 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
WO-1992007831-A1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO claimed