SCHEMBL9757624

SCHEMBL9757624

COc1cccc2c1CCC(N(CC1CC1)CC1CC1)C2

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.76
DRD3 P35462 4/20 0.76
DRD4 P21917 3/20 0.76
HTR1A P08908 2/20 0.58
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55

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
SCHEMBL9559091 0.91 DRD2 (0.84) DRD2DRD3DRD4HTR1A
SCHEMBL9558839 0.90 CHRM2 (0.68) DRD2DRD3DRD4HTR1ACHRM2
SCHEMBL9558543 0.84 DRD2 (0.68) DRD2DRD3DRD4HTR1ACHRM2
SCHEMBL9717289 0.84 DRD2 (0.68) DRD2DRD3DRD4HTR1ACHRM2
SCHEMBL31208114 0.84 DRD2 (0.75) DRD2DRD3DRD4HTR1A
SCHEMBL31208122 0.84 DRD2 (0.75) DRD2DRD3DRD4HTR1A
SCHEMBL31208115 0.84 DRD2 (0.75) DRD2DRD3DRD4HTR1A
SCHEMBL11388217 0.84 DRD2 (1.00) DRD2DRD3DRD4HTR1A
Hydrochloric Acid SCHEMBL9359305 0.83 DRD2 (0.97) DRD2DRD3DRD4HTR1A
SCHEMBL7384337 0.82 DRD2 (0.77) DRD2DRD3DRD4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407416-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1991-01-16 EP claimed
WO-1989009050-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1989-10-05 WO claimed
EP-0334538-A1 Therapeutically useful tetralin derivatives THE UPJOHN COMPANY (US) 1989-09-27 EP claimed