SCHEMBL20148982

SCHEMBL20148982

CN1CC(c2ccc(F)cc2)C(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 18/20 0.50
NR1I2 O75469 3/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL20149268 0.81 RORC (0.50) RORCNR1I2
SCHEMBL20148977 0.78 RORC (0.46) RORCNR1I2NR1H2NR1H3
SCHEMBL20149019 0.77 RORC (0.57) RORCNR1I2NR1H2NR1H3
SCHEMBL8021367 0.76 NR1H2 (0.58) RORCNR1I2NR1H2NR1H3
SCHEMBL20149050 0.74 RORC (0.84) RORCNR1I2
SCHEMBL20149047 0.71 RORC (0.90) RORCNR1I2
SCHEMBL16109604 0.70 KDM1A (0.57)
SCHEMBL16133827 0.70 KDM1A (0.57)
SCHEMBL8782674 0.70 SLC6A2 (0.42)
SCHEMBL9137150 0.70 SLC6A2 (0.42)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed