SCHEMBL8959569

SCHEMBL8959569

CC(O)Cn1ccc2cc(Br)ccc21

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.72
HTR2A P28223 6/20 0.72
NTSR1 P30989 1/20 0.51
PRMT5 O14744 6/20 0.47
HTR7 P34969 2/20 0.47
KRAS P01116 2/20 0.40

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
SCHEMBL8959574 1.00 HTR2C (0.72) HTR2CHTR2ANTSR1PRMT5HTR7
SCHEMBL7253595 0.87 HTR2C (0.55) HTR2CHTR2APRMT5HTR7
SCHEMBL7253589 0.87 HTR2C (0.55) HTR2CHTR2APRMT5HTR7
SCHEMBL7253587 0.87 HTR2C (0.55) HTR2CHTR2APRMT5HTR7
SCHEMBL12474064 0.87 HTR2C (0.77) HTR2CHTR2ANTSR1PRMT5HTR7
SCHEMBL8959875 0.84 HTR2C (1.00) HTR2CHTR2ANTSR1HTR7
SCHEMBL9232987 0.84 HTR2C (1.00) HTR2CHTR2ANTSR1HTR7
SCHEMBL8959885 0.84 HTR2C (1.00) HTR2CHTR2ANTSR1HTR7
SCHEMBL22930137 0.83 HTR2C (0.70) HTR2CHTR2ANTSR1PRMT5HTR7
SCHEMBL848269 0.83 HTR2A (0.61) HTR2CHTR2ANTSR1PRMT5HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1061341-C 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 2001-01-31 CN disclosed
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
CN-1105988-A 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 1995-08-02 CN disclosed
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 EP disclosed