SCHEMBL8540481

SCHEMBL8540481

COC(C)C1(C(C)OC)Oc2ccc(Br)cc2[C@@H]2O[C@@H]21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
DRD2 P14416 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD1 P21728 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4020277 0.78 HTR2A (0.32) HTR2BMEN1KMT2ANPC1POLB
SCHEMBL4848406 0.78 HTR2A (0.32) HTR2BMEN1KMT2ANPC1POLB
SCHEMBL9141916 0.75 HTR2A (0.36) HTR2BHTR2AHTR2CDRD2ADRA2A
SCHEMBL8535718 0.74 HTR2A (0.34) HTR2BHTR2AHTR2CDRD2ADRA2A
SCHEMBL9735917 0.73 HTR2A (0.39) HTR2BMEN1KMT2AHTR2AHTR2C
SCHEMBL8540483 0.72 HTR2A (0.33) HTR2BHTR2AHTR2CDRD2ADRA2A
SCHEMBL7970569 0.61 BCL2 (0.33) HTR2B
SCHEMBL27500981 0.61 BCL2 (0.33) HTR2B
SCHEMBL27516097 0.61 BCL2 (0.33) HTR2B
SCHEMBL9443650 0.61 LMNA (0.35) HTR2BPOLB

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
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed