SCHEMBL8907962

SCHEMBL8907962

Nc1ccc(C#CCCN2CC=C(c3ccc(F)cc3)CC2)cn1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.80
DRD3 P35462 6/20 0.80
DRD4 P21917 5/20 0.80
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL8906793 0.89 DRD2 (1.00) DRD2DRD3DRD4SIGMAR1
SCHEMBL7106001 0.81 DRD2 (0.61) DRD2DRD3DRD4SIGMAR1
SCHEMBL6969948 0.74 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL8906569 0.74 DRD2 (0.72) DRD2DRD3DRD4SIGMAR1
SCHEMBL7106945 0.71 DRD2 (0.83) DRD2DRD3DRD4
SCHEMBL8906850 0.71 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL8010714 0.70 SIGMAR1 (0.72) DRD2SIGMAR1
SCHEMBL5889009 0.70 DRD2 (0.80) DRD2DRD3DRD4SIGMAR1
SCHEMBL8908080 0.70 DRD2 (0.67) DRD2DRD3DRD4
SCHEMBL8907863 0.70 DRD2 (0.66) DRD2DRD3DRD4SIGMAR1

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
US-5620988-A Substituted tetrahydropyridines and hydroxypiperidines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
US-5466698-A Substituted tetrahydrophyridines and hydroxypiperidines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1995-11-14 US disclosed