SCHEMBL9668693

SCHEMBL9668693

CN(C)C1CCc2ccc3c(ccn3C=O)c2C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.58
HTR1D P28221 6/20 0.49
HTR1B P28222 5/20 0.49
CHRM3 P20309 2/20 0.44
DRD3 P35462 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL9670304 0.84 DRD3 (0.62) HTR1DHTR1BDRD3DRD2
SCHEMBL10978045 0.81 HTR6 (0.60) HTR6HTR1DHTR1BCHRM3DRD3
SCHEMBL9669337 0.79 HTR1D (0.60) HTR1DHTR1BDRD3DRD2
SCHEMBL3205572 0.74 HTR6 (1.00) HTR6DRD3DRD2
SCHEMBL3259947 0.74 HTR6 (0.63) HTR6HTR1DHTR1BCHRM3
SCHEMBL9668655 0.74 DRD3 (0.40) HTR6HTR1DHTR1BDRD3DRD2
SCHEMBL13422076 0.73 HTR6 (0.82) HTR6HTR1DHTR1B
SCHEMBL3198489 0.72 HTR6 (0.80) HTR6
SCHEMBL8314905 0.71 HTR1D (0.48) HTR6HTR1DHTR1BCHRM3DRD3
SCHEMBL3212926 0.71 HTR6 (0.74) HTR6

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-0510068-A1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS PHARMACIA & UPJOHN COMPANY (US) 1992-10-28 EP claimed