SCHEMBL20006795

SCHEMBL20006795

Cc1ccc(F)cc1CCCC(O)CNCCC1CCc2cc(F)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
PRMT5 O14744 2/20 0.35
SLC6A4 P31645 8/20 0.34
SLC6A2 P23975 7/20 0.34
SLC6A3 Q01959 7/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
DRD3 P35462 2/20 0.34
HTR2B P41595 2/20 0.34
MLNR O43193 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
KCNE1 P15382 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL24317058 0.84 HTR1D (0.42) HTR1DHTR1BSLC6A4SLC6A2SLC6A3
SCHEMBL24317011 0.74 DRD2 (0.46) HTR1DHTR1BSLC6A4HTR1ADRD2
SCHEMBL20006880 0.73 HTR1D (0.45) HTR1DHTR1BPRMT5SLC6A4SLC6A2
SCHEMBL18255049 0.70 MPO (0.41) SLC6A4
SCHEMBL20006948 0.69 DRD2 (0.54) HTR1DHTR1BPRMT5SLC6A4SLC6A2
SCHEMBL20007096 0.67 DRD2 (0.46) HTR1DHTR1BSLC6A4SLC6A2SLC6A3
SCHEMBL24316813 0.65 HTR1D (0.39) HTR1DHTR1BPRMT5SLC6A4SLC6A2
SCHEMBL20204829 0.65 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3
SCHEMBL23940690 0.65 HTR1D (0.35) HTR1DHTR1BMCHR1SGPL1
SCHEMBL19174337 0.65 ADRB2 (0.45) HTR1DHTR1BSLC6A4SLC6A2SLC6A3

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