SCHEMBL20007096

SCHEMBL20007096

Fc1ccc2c(c1)CCC(CCNCCC1CCc3cc(F)ccc3O1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.46
SLC6A4 P31645 5/20 0.46
HTR1A P08908 4/20 0.46
HTR2A P28223 3/20 0.46
CHRM1 P11229 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2B P41595 2/20 0.46
MLNR O43193 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
KCNE1 P15382 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CNR1 P21554 1/20 0.46
SLC6A2 P23975 1/20 0.46
NPY1R P25929 1/20 0.46
HTR2C P28335 1/20 0.46
AVPR2 P30518 1/20 0.46

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
SCHEMBL20006948 0.81 DRD2 (0.54) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL23940685 0.78 DRD2 (0.49) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL20179482 0.78 DRD2 (0.49) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL11943726 0.75 HTR1A (0.78) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL23940671 0.75 HTR1A (0.78) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL14240237 0.75 HTR1A (0.78) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL14503843 0.75 HTR1A (0.78) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL24263143 0.75 HTR1A (0.78) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL6856896 0.74 HTR1A (0.52) DRD2SLC6A4HTR1AHTR2ACHRM1
SCHEMBL14681243 0.74 HTR1A (0.52) DRD2SLC6A4HTR1AHTR2ACHRM1

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