SCHEMBL8674841

SCHEMBL8674841

COc1cccc2c1CC(N1CCSCC1)CC2

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.56
CHRM1 P11229 2/20 0.56
CHRM3 P20309 2/20 0.56
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
DRD4 P21917 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46

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
Hydrochloric Acid SCHEMBL7932854 0.99 CHRM2 (0.55) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL9727207 0.89 CHRM2 (0.55) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL4215401 0.89 CHRM2 (0.55) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL8677765 0.87 SIGMAR1 (0.54) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL9239027 0.87 DRD2 (0.54) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL11393302 0.87 SIGMAR1 (0.54) CHRM2CHRM1CHRM3DRD2DRD3
Hydrochloric Acid SCHEMBL9242362 0.86 DRD2 (0.52) CHRM2CHRM1CHRM3DRD2DRD3
Hydrochloric Acid SCHEMBL9243515 0.86 DRD2 (0.52) CHRM2CHRM1CHRM3DRD2DRD3
Hydrochloric Acid SCHEMBL7933015 0.86 SIGMAR1 (0.53) CHRM2CHRM1CHRM3DRD2DRD3
Hydrochloric Acid SCHEMBL7935858 0.86 SIGMAR1 (0.53) CHRM2CHRM1CHRM3DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2785879-B2 1998-08-13 JP claimed
EP-0552246-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1993-07-28 EP claimed
WO-1992006967-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-04-30 WO claimed
EP-0476016-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 1992-03-25 EP claimed
WO-1990015047-A1 THERAPEUTICALLY USEFUL 2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1990-12-13 WO claimed