SCHEMBL8076233

SCHEMBL8076233

COc1cccc2c1C[C@H](N)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.79
DRD3 P35462 1/20 0.79
ADRA1A P35348 3/20 0.67
CHRM2 P08172 2/20 0.62
CHRM1 P11229 2/20 0.62
CHRM3 P20309 2/20 0.62
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HTR1A P08908 2/20 0.54

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
SCHEMBL266921 1.00 DRD2 (0.79) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL4210081 1.00 DRD2 (0.79) DRD2DRD3ADRA1ACHRM2CHRM1
Hydrochloric Acid SCHEMBL7028613 0.98 DRD2 (0.77) DRD2DRD3ADRA1ACHRM2CHRM1
Hydrochloric Acid SCHEMBL4213402 0.98 DRD2 (0.77) DRD2DRD3ADRA1ACHRM2CHRM1
Hydrochloric Acid SCHEMBL4208502 0.98 DRD2 (0.77) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL895845 0.88 DRD2 (1.00) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL895742 0.88 DRD2 (1.00) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL29547385 0.88 DRD2 (1.00) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL43366 0.88 DRD2 (1.00) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL29429678 0.88 DRD2 (1.00) DRD2DRD3ADRA1ACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683236-B1 Enzymatic process for the preparation of optical active tetralin-derivatives SANOFI SYNTHELABO (FR) 2000-08-09 EP disclosed
EP-0683236-A1 Enzymatic process for the preparation of optical active tetralin-derivatives SANOFI (FR) 1995-11-22 EP disclosed
US-5214156-A Central nervous system disorders, dopamime receptor activity THE UPJOHN COMPANY (US) 1993-05-25 US disclosed
EP-0334538-B1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-12-02 EP disclosed
EP-0407416-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1991-01-16 EP disclosed
WO-1989009050-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1989-10-05 WO disclosed
EP-0334538-A1 Therapeutically useful tetralin derivatives THE UPJOHN COMPANY (US) 1989-09-27 EP disclosed