SCHEMBL4786874

SCHEMBL4786874

CN1CCC(Oc2cccc3c2C[C@H](N)CC3)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
ADRA1A P35348 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
PLAU P00749 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 1/20 0.40
TIPARP Q7Z3E1 1/20 0.40

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
SCHEMBL4786938 0.89 DRD2 (0.47) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL4210081 0.79 DRD2 (0.79) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL8076233 0.79 DRD2 (0.79) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL266921 0.79 DRD2 (0.79) DRD2DRD3ADRA1ACHRM2CHRM1
Hydrochloric Acid SCHEMBL4208502 0.78 DRD2 (0.77) DRD2DRD3ADRA1ACHRM2CHRM1
Hydrochloric Acid SCHEMBL4213402 0.78 DRD2 (0.77) DRD2DRD3ADRA1ACHRM2CHRM1
Hydrochloric Acid SCHEMBL7028613 0.78 DRD2 (0.77) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL4750047 0.78 SMN1; SMN2 (0.39) DRD2DRD1KDM4ENPY1RNPY2R
SCHEMBL7023748 0.76 DRD2 (0.46) DRD2DRD3ADRA1APLAU
SCHEMBL7023743 0.76 DRD2 (0.46) DRD2DRD3ADRA1APLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed