SCHEMBL27730581

SCHEMBL27730581

COC1CCN(c2cccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3cccc(C)c3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.52
NR1H3 Q13133 13/20 0.52
NR1I2 O75469 2/20 0.40
NR3C1 P04150 2/20 0.40
AR P10275 1/20 0.40
RXRA P19793 1/20 0.40
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ADORA2A P29274 1/20 0.37
MAOB P27338 3/20 0.36
HTR6 P50406 2/20 0.36
SYK P43405 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL27710175 0.90 NR1H2 (0.49) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407763 0.88 NR1H2 (0.52) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL27730657 0.83 NR1H2 (0.66) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408271 0.82 NR1H2 (0.49) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407451 0.78 NR1H2 (0.68) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL27710163 0.78 NR1H2 (0.55) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3860965 0.77 NR1H3 (0.82) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407178 0.77 NR1H2 (0.50) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407404 0.76 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407301 0.75 NR1H2 (0.74) NR1H2NR1H3NR1I2NR3C1AR

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-101213194-A Indazoles useful in treating cardiovascular diseases WYETH CORP (US) 2008-07-02 CN claimed
CN-101213194-A Indazoles useful in treating cardiovascular diseases WYETH CORP (US) 2008-07-02 CN disclosed