SCHEMBL20007103

SCHEMBL20007103

Oc1ccc(F)cc1CCCCCNCCC1CCc2cc(F)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
HTR1D P28221 1/20 0.44
DRD2 P14416 3/20 0.43
DRD3 P35462 2/20 0.43
MLNR O43193 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
KCNE1 P15382 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CNR1 P21554 1/20 0.43
SLC6A2 P23975 1/20 0.43
NPY1R P25929 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
AVPR2 P30518 1/20 0.43
SLC6A4 P31645 1/20 0.43

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 0.81 ADRB2 (0.68) HTR1AHTR1DDRD2DRD3MLNR
SCHEMBL20006780 0.81 DRD2 (0.53) HTR1AHTR1DDRD2DRD3MLNR
SCHEMBL24317011 0.79 DRD2 (0.46) HTR1AHTR1DDRD2DRD3HTR2A
SCHEMBL20007096 0.74 DRD2 (0.46) HTR1AHTR1DDRD2DRD3MLNR
SCHEMBL20179482 0.73 DRD2 (0.49) HTR1ADRD2DRD3MLNRADRB2
SCHEMBL23940685 0.73 DRD2 (0.49) HTR1ADRD2DRD3MLNRADRB2
SCHEMBL23940671 0.72 HTR1A (0.78) HTR1AHTR1DDRD2DRD3MLNR
SCHEMBL14503843 0.72 HTR1A (0.78) HTR1AHTR1DDRD2DRD3MLNR
SCHEMBL24263143 0.72 HTR1A (0.78) HTR1AHTR1DDRD2DRD3MLNR
SCHEMBL14240237 0.72 HTR1A (0.78) HTR1AHTR1DDRD2DRD3MLNR

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-3974419-A2 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2022-03-30 EP disclosed
EP-3299364-B1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2021-10-20 EP disclosed
EP-3299364-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2018-03-28 EP disclosed