SCHEMBL27730747

SCHEMBL27730747

CCC(=O)O[C@@H]1CCCN(c2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccc(F)cc3Cl)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.61
NR1H3 Q13133 13/20 0.61
NR1I2 O75469 2/20 0.61
NR3C1 P04150 2/20 0.61
AR P10275 1/20 0.61
RXRA P19793 1/20 0.61
NAMPT P43490 1/20 0.35
P2RX7 Q99572 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DPP4 P27487 1/20 0.33
FAAH O00519 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
SCHEMBL27710174 0.93 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL27730746 0.86 NR1H2 (0.61) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407419 0.85 NR1H2 (0.63) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407085 0.84 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407737 0.78 NR1H2 (0.53) NR1H2NR1H3NR1I2NR3C1AR
Lxr-623 SCHEMBL29377439 0.78 NR1H2 (1.00) NR1H2NR1H3NR1I2NR3C1AR
Lxr-623 SCHEMBL1407261 0.78 NR1H2 (1.00) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1414616 0.78 NR1H2 (0.56) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407765 0.77 NR1H2 (0.51) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407374 0.76 NR1H2 (1.00) 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