SCHEMBL5329413

SCHEMBL5329413

CCC1C(C(=O)O)CCCN1c1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2c(F)cc(F)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.46
NR1H3 Q13133 13/20 0.46
NR1I2 O75469 2/20 0.45
NR3C1 P04150 2/20 0.45
AR P10275 1/20 0.44
RXRA P19793 1/20 0.44
RORC P51449 4/20 0.33
RBP4 P02753 1/20 0.33
F2RL1 P55085 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1407922 0.82 NR1H2 (0.52) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407435 0.82 NR1H2 (0.45) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407329 0.80 NR1H2 (0.46) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407772 0.80 NR1H2 (0.46) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407372 0.80 NR1H2 (0.50) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1415167 0.79 NR1H2 (0.45) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407083 0.79 NR1H2 (0.45) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407813 0.79 KDM4E (0.44) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407439 0.79 NR1H2 (0.51) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407392 0.79 NR1H2 (0.47) 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
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP claimed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO claimed