SCHEMBL9064950

SCHEMBL9064950

Oc1cccc2c1CC2Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
DRD2 P14416 2/20 0.39
DRD3 P35462 1/20 0.39
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRM3 P20309 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL1244302 0.74 CHRNB2 (0.46) CHRNB2CHRNA4DRD2DRD3SLC6A2
SCHEMBL10262733 0.71 CHRNB2 (0.44) CHRNB2CHRNA4DRD2DRD3SLC6A2
SCHEMBL2047177 0.71 CHRNB2 (0.47) CHRNB2CHRNA4DRD2DRD3
SCHEMBL4250760 0.69 ALDH1A1 (0.45) CHRNB2CHRNA4DRD2DRD3SLC6A2
SCHEMBL2050822 0.69 ESR1 (0.44) CHRNB2CHRNA4DRD2DRD3ESR1
SCHEMBL4268386 0.66 CHRNB2 (0.40) CHRNB2CHRNA4DRD2DRD3SLC6A2
SCHEMBL24650841 0.65 DPP4 (0.40) CHRNB2CHRNA4DRD2DRD3SLC6A2
SCHEMBL9534010 0.64 ESR1 (0.51) DRD2DRD3ESR1ESR2CYP1A1
SCHEMBL13518633 0.64 ESR1 (0.51) DRD2DRD3ESR1ESR2CYP1A1
SCHEMBL10955529 0.63 ADRA2A (0.39) CHRNB2CHRNA4DRD2BCL2L1BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747406-A1 Process for producing syndiotactic/isotactic block polyolefins FINA TECHNOLOGY, INC. (US) 1996-12-11 EP claimed