SCHEMBL5767786

SCHEMBL5767786

Cc1c(Cl)ccc2c(CCN(C)C)cn(C(=O)c3ccccc3Br)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.41
HTR7 P34969 4/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MCL1 Q07820 1/20 0.34

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
SCHEMBL5768419 0.92 HTR6 (0.41) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5767683 0.90 HTR6 (0.42) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5793653 0.88 HTR6 (0.42) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5767735 0.84 TAAR1 (0.39) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5768071 0.84 HTR6 (0.43) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5768435 0.83 TAAR1 (0.45) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5768381 0.81 TAAR1 (0.40) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL6195999 0.81 HTR6 (0.43) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5769061 0.80 HTR6 (0.49) HTR6HTR7HTR1AHTR1DHTR1B
SCHEMBL5093102 0.80 HTR6 (0.54) HTR6HTR7HTR1AHTR1DHTR1B

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-1517909-B1 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2006-10-25 EP disclosed