SCHEMBL4786938

SCHEMBL4786938

CN1CCCC(Oc2cccc3c2C[C@H](N)CC3)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA1A P35348 2/20 0.39
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL4786874 0.89 DRD2 (0.52) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL4746896 0.79 PDGFRB (0.39) DRD2PDGFRBFGFR1KDRMEN1
SCHEMBL4788734 0.79 DRD2 (0.49) DRD2DRD3CHRM2CHRM1CHRM3
Ammonia Solution, Strong SCHEMBL4750926 0.78 PDGFRB (0.38) DRD2PDGFRBFGFR1KDRMEN1
SCHEMBL14559957 0.75 DRD2 (0.55) DRD2DRD3PDGFRBFGFR1KDR
SCHEMBL8076233 0.74 DRD2 (0.79) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL4210081 0.74 DRD2 (0.79) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL266921 0.74 DRD2 (0.79) DRD2DRD3ADRA1ACHRM2CHRM1
SCHEMBL4750927 0.74 PDGFRB (0.41) PDGFRBFGFR1KDRMEN1KMT2A
Hydrochloric Acid SCHEMBL7028613 0.73 DRD2 (0.77) 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 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