SCHEMBL20006780

SCHEMBL20006780

CC(CNCCCCCc1cc(F)ccc1O)C1CCc2cc(F)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.53
ADRB2 P07550 3/20 0.53
HTR1A P08908 2/20 0.53
DRD3 P35462 2/20 0.53
ADRB1 P08588 2/20 0.53
MLNR O43193 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
KCNE1 P15382 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
CNR1 P21554 1/20 0.53
SLC6A2 P23975 1/20 0.53
NPY1R P25929 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
AVPR2 P30518 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53

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
SCHEMBL14240235 0.90 ADRB2 (0.68) DRD2ADRB2HTR1ADRD3ADRB1
SCHEMBL14069703 0.81 HTR1A (0.72) DRD2ADRB2HTR1ADRD3ADRB1
SCHEMBL24316813 0.81 HTR1D (0.39) DRD2ADRB2HTR1ADRD3ADRB1
SCHEMBL20007103 0.81 HTR1A (0.44) DRD2ADRB2HTR1ADRD3ADRB1
SCHEMBL14590248 0.78 HTR1A (0.86) DRD2ADRB2HTR1ADRD3ADRB1
SCHEMBL14590242 0.78 HTR1A (0.86) DRD2ADRB2HTR1ADRD3ADRB1
SCHEMBL14069708 0.78 HTR1A (0.86) DRD2ADRB2HTR1ADRD3ADRB1
SCHEMBL24317251 0.78 HTR1A (0.86) DRD2ADRB2HTR1ADRD3ADRB1
SCHEMBL14590245 0.78 HTR1A (0.86) DRD2ADRB2HTR1ADRD3ADRB1
SCHEMBL20006747 0.78 HTR1A (0.86) DRD2ADRB2HTR1ADRD3ADRB1

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-3299364-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2018-03-28 EP disclosed