SCHEMBL6945218

SCHEMBL6945218

CCCn1ccc2ccc(COC)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
HTR1D P28221 1/20 0.37

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
SCHEMBL6953900 0.81 HTR7 (0.47) HTR7HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL6945456 0.80 CYP2A6 (0.46) HTR7HTR2AHTR2CHDAC8
SCHEMBL4653660 0.77 KDM4E (0.44) HTR7HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL13131405 0.76 HTR7 (0.52) HTR7HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL19173629 0.75 HTR2A (0.58) HTR7HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL10646759 0.75 LMNA (0.46) HTR7HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL19526836 0.74 HTR7 (0.57) HTR7HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL27403010 0.74 HTR2C (0.43) HTR7HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL8430621 0.73 KMO (0.62) HTR7HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL8435460 0.73 HTR2C (0.59) HTR7HTR2AHTR2CMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915872-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2003-05-14 EP disclosed
US-6030994-A ANTIPROLIFERATIVE, TUMOR AND CARCINOGENIC AGENTS; PARTICULARLY FOR TREATMENT OF SOLID TUMORS AND THOSE OF THE BREAST AND COLON HOFFMANN-LA ROCHE INC. (US) 2000-02-29 US disclosed
US-5856517-A ANTIPROLIFERATIVE AGENTS USEFUL IN THE TREATMENT OF CANCER. HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed