SCHEMBL15524903

SCHEMBL15524903

Nc1ccc2c(c1)CCC(Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 8/20 0.32
▸ CYP26A1 O43174 2/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ NR1H2 P55055 3/20 0.32
▸ NR1H3 Q13133 3/20 0.32
▸ GCK P35557 2/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ AR P10275 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
SCHEMBL15528548 0.87 RORC (0.32) RORCNR1H2NR1H3MTNR1APPARG
SCHEMBL11472931 0.69 AR (0.42) RORCNR1H2NR1H3NR1I2AR
SCHEMBL7140193 0.67 MTNR1A (0.34) MTNR1A
SCHEMBL6754202 0.67 AR (0.38) AR
SCHEMBL6754201 0.67 AR (0.38) AR
SCHEMBL3625724 0.67 GAA (0.42) RORCNR1H2NR1H3NR1I2AR
SCHEMBL15525689 0.66 NR1H3 (0.44) RORCNR1H2NR1H3GCKNR1I2
SCHEMBL21787545 0.65 RORC (0.55) RORCNR1H3NR1I2
SCHEMBL16564739 0.65 RORC (0.39) RORCMTNR1A
SCHEMBL30738393 0.65 AR (0.52) MTNR1AAR

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-2844247-A1 ROR MODULATORS AND THEIR USES Gaweco, Anderson (US) 2015-03-11 — — EP disclosed
WO-2013159095-A1 ROR MODULATORS AND THEIR USES GAWECO ANDERSON (US) 2013-10-24 — — WO disclosed
Send feedback