SCHEMBL15528548

SCHEMBL15528548

OC(c1ccc(CC2CCc3cc(Br)ccc3N2)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 6/20 0.32
▸ NR1H2 P55055 4/20 0.32
▸ NR1H3 Q13133 4/20 0.32
▸ PNMT P11086 3/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ AR P10275 2/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ SLC6A4 P31645 1/20 0.30

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
SCHEMBL15524903 0.87 RORC (0.32) RORCNR1H2NR1H3PPARGNR1I2
SCHEMBL6192228 0.72 PNMT (0.50) PNMTADRA2AMTNR1A
SCHEMBL7691593 0.70 POLB (0.37) SLC6A4
SCHEMBL6192806 0.70 PNMT (0.37) PNMTADRA2AMTNR1ASLC6A4
SCHEMBL11472931 0.70 AR (0.42) RORCNR1H2NR1H3NR1I2AR
SCHEMBL16553844 0.68 RORC (0.49) RORCNR1H2NR1H3
SCHEMBL6754201 0.68 AR (0.38) PNMTAR
SCHEMBL6754202 0.68 AR (0.38) PNMTAR
SCHEMBL3625724 0.68 GAA (0.42) RORCNR1H2NR1H3NR1I2AR
SCHEMBL15528373 0.67 HDAC6 (0.54) RORCNR1H3AR

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-2844260-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 — — EP disclosed
WO-2013166015-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-11-07 — — WO disclosed
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