SCHEMBL8675787

SCHEMBL8675787

C#CCN(CC#C)C1CCc2cccc(OC)c2C1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
CHRM3 P20309 1/20 0.64
DRD2 P14416 4/20 0.59
DRD4 P21917 3/20 0.59
DRD3 P35462 3/20 0.59
HTR1A P08908 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53

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 SCHEMBL7938726 0.99 CHRM2 (0.63) CHRM2CHRM1CHRM3DRD2DRD4
SCHEMBL8925229 0.92 DRD2 (0.67) CHRM2CHRM1CHRM3DRD2DRD4
Hydrochloric Acid SCHEMBL7938677 0.87 CHRM2 (0.65) CHRM2CHRM1CHRM3DRD2DRD4
SCHEMBL8892571 0.83 DRD2 (0.82) CHRM2CHRM1CHRM3DRD2DRD4
SCHEMBL2218622 0.81 DRD2 (0.82) CHRM2CHRM1CHRM3DRD2DRD4
SCHEMBL9558839 0.81 CHRM2 (0.68) CHRM2CHRM1CHRM3DRD2DRD4
Hydrochloric Acid SCHEMBL9355015 0.80 DRD2 (0.81) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL7926554 0.80 CHRM2 (0.66) CHRM2CHRM1CHRM3DRD2DRD4
SCHEMBL7031018 0.79 DRD2 (0.71) CHRM2CHRM1CHRM3DRD2DRD4
SCHEMBL8893091 0.79 DRD2 (0.74) CHRM2CHRM1CHRM3DRD2DRD4

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
JP-2785879-B2 1998-08-13 JP 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