SCHEMBL27919481

SCHEMBL27919481

Cc1ccncc1N1CCc2ccc(Cl)cc2C1C=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
CYP11B1 P15538 6/20 0.35
CYP11B2 P19099 6/20 0.35
KDM4C Q9H3R0 1/20 0.35
HHAT Q5VTY9 1/20 0.35
NOTUM Q6P988 1/20 0.34
CNR1 P21554 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HTR2B P41595 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL27901763 0.87 CYP11B2 (0.38) HTR2AHTR2CCYP11B1CYP11B2
SCHEMBL27901774 0.86 DRD1 (0.36) CYP11B1CYP11B2MAPT
SCHEMBL27901809 0.84 CYP11B2 (0.38) HTR2AHTR2CCYP11B1CYP11B2MAPT
SCHEMBL27919644 0.84 DRD1 (0.38) HTR2AHTR2CCYP11B1CYP11B2HTR2B
SCHEMBL27919482 0.84 HTR2C (0.39) HTR2AHTR2CCYP11B1CYP11B2NOTUM
SCHEMBL27901782 0.82 MAPT (0.37) HTR2AHTR2CCYP11B1CYP11B2KDM4C
SCHEMBL27901762 0.82 ESR1 (0.40) HTR2AHTR2CCYP11B1CYP11B2
SCHEMBL27919500 0.81 CYP11B2 (0.34) HTR2AHTR2CCYP11B1CYP11B2HTR2B
SCHEMBL27901787 0.80 CYP11B2 (0.35) CYP11B1CYP11B2NOTUM
SCHEMBL27919512 0.79 CYP17A1 (0.37) CYP11B1CYP11B2KDM4CMAPT

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
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 CN claimed
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 CN disclosed