SCHEMBL8726543

SCHEMBL8726543

COc1cccc2c1CC(N)C(O)C2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.56
DRD3 P35462 3/20 0.56
HTR1A P08908 2/20 0.48
CHRM2 P08172 3/20 0.48
CHRM1 P11229 3/20 0.48
CHRM3 P20309 3/20 0.48
DRD4 P21917 2/20 0.47
ANPEP P15144 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
CYP19A1 P11511 1/20 0.46
ADRA1A P35348 1/20 0.44
AADAT Q8N5Z0 1/20 0.44

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
SCHEMBL10755593 1.00 DRD2 (0.56) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL7742038 0.94 DRD2 (0.56) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL1361937 0.94 DRD2 (0.56) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL1360485 0.94 DRD2 (0.56) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL7743356 0.94 DRD2 (0.56) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL1361933 0.94 DRD2 (0.56) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL16482975 0.86 DRD2 (0.54) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL14545524 0.86 DRD2 (0.54) DRD2DRD3HTR1ACHRM2CHRM1
SCHEMBL11604206 0.81 ADRA1A (0.62) DRD2DRD3ANPEPADRA1AAADAT
SCHEMBL11604211 0.81 ADRA1A (0.62) DRD2DRD3ANPEPADRA1AAADAT

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-0835107-A1 THE USE OF ALPHA-1C-SELECTIVE ADRENOCEPTOR AGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-04-15 EP disclosed
US-5610174-A Use of α1A -selective adrenoceptor agonists for the treatment of urinary incontinence SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-03-11 US disclosed
WO-1996038143-A1 THE USE OF ALPHA-1C-SELECTIVE ADRENOCEPTOR AGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-12-05 WO disclosed