SCHEMBL16612869

SCHEMBL16612869

COc1ccc2c(ccn2CCn2cc(N)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HCRTR2 O43614 5/20 0.47
HCRTR1 O43613 2/20 0.47
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
HTR2A P28223 1/20 0.43
ROCK1 Q13464 1/20 0.43
HTR7 P34969 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL12479658 0.91 HTR2C (0.54) HTR2CMEN1KMT2AHCRTR2HCRTR1
SCHEMBL12478591 0.85 HCRTR2 (0.49) HTR2CMEN1KMT2AHCRTR2HCRTR1
SCHEMBL12479669 0.85 HTR2A (0.48) HTR2CMEN1KMT2AHCRTR2HCRTR1
SCHEMBL12479715 0.84 HTR2A (0.52) HTR2CMEN1KMT2AHCRTR2HCRTR1
SCHEMBL12479594 0.83 HCRTR2 (0.50) MEN1KMT2AHCRTR2HCRTR1MAPT
SCHEMBL12480073 0.82 HTR2A (0.47) HTR2CMEN1KMT2AHCRTR2HTR2A
SCHEMBL12479690 0.81 HCRTR2 (0.49) HTR2CMEN1KMT2AHCRTR2HCRTR1
SCHEMBL12479655 0.81 HCRTR2 (0.49) HTR2CMEN1KMT2AHCRTR2HCRTR1
SCHEMBL12479365 0.80 HCRTR2 (0.49) HTR2CMEN1KMT2AHCRTR2HCRTR1
SCHEMBL12479753 0.79 CDK4 (0.59) HTR2CKMT2AHCRTR2HCRTR1HTR2A

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-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 EP disclosed