SCHEMBL27730657

SCHEMBL27730657

COC1CCN(c2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.66
NR1H3 Q13133 13/20 0.66
NR1I2 O75469 2/20 0.49
NR3C1 P04150 2/20 0.49
AR P10275 1/20 0.47
RXRA P19793 1/20 0.47
MAOB P27338 4/20 0.43
ESR1 P03372 1/20 0.42
HTR6 P50406 2/20 0.40
RORC P51449 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
SCHEMBL28774581 0.89 NR1H2 (0.61) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL27710163 0.88 NR1H2 (0.55) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407876 0.87 NR1H2 (0.75) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3867717 0.87 NR1H2 (0.66) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407782 0.86 NR1H2 (0.73) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3864218 0.86 NR1H2 (0.64) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407495 0.86 NR1H2 (0.64) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3860036 0.85 NR1H2 (0.66) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3862021 0.85 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407279 0.84 NR1H2 (0.58) NR1H2NR1H3NR1I2NR3C1

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