SCHEMBL9735917

SCHEMBL9735917

COCC1(C)Oc2ccc(Br)cc2C2OC21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.39
HTR2C P28335 5/20 0.39
DRD2 P14416 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
HTR7 P34969 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
IDO1 P14902 3/20 0.34
HTR2B P41595 8/20 0.33
XIAP P98170 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SIRT2 Q8IXJ6 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
SCHEMBL8535718 0.85 HTR2A (0.34) HTR2AHTR2CDRD2ADRA2AADRA2C
SCHEMBL26759016 0.82 MEN1 (0.34) HTR2AHTR2CDRD2ADRA2AADRA2C
SCHEMBL9200651 0.81 ABCB1 (0.44)
SCHEMBL4873739 0.80 HTT (0.39) MEN1ALDH1A1KMT2A
SCHEMBL4846177 0.80 HTT (0.39) MEN1ALDH1A1KMT2A
SCHEMBL6987633 0.80 HTT (0.39) MEN1ALDH1A1KMT2A
SCHEMBL4873736 0.80 HTT (0.39) MEN1ALDH1A1KMT2A
SCHEMBL9735438 0.79 HTR1A (0.40) HTR2CDRD2DRD3MEN1ALDH1A1
SCHEMBL9736762 0.79 ALOX5 (0.41) IDO1MEN1ALDH1A1KMT2A
SCHEMBL4848406 0.78 HTR2A (0.32) HTR2AHTR2CDRD2ADRA2AADRA2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed