SCHEMBL20148977

SCHEMBL20148977

OC(c1ccc(C2CNCC2c2ccc(F)cc2)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.46
NR1I2 O75469 4/20 0.45
TACR1 P25103 1/20 0.43
NR1H3 Q13133 3/20 0.42
NR1H2 P55055 2/20 0.40

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
SCHEMBL20149260 0.87 RORC (0.54) RORCNR1I2NR1H3NR1H2
SCHEMBL20148986 0.83 TACR1 (0.42) RORCNR1I2TACR1
SCHEMBL20149019 0.79 RORC (0.57) RORCNR1I2NR1H3NR1H2
SCHEMBL8021367 0.78 NR1H2 (0.58) RORCNR1I2NR1H3NR1H2
SCHEMBL20148982 0.78 RORC (0.50) RORCNR1I2NR1H3NR1H2
SCHEMBL20149268 0.75 RORC (0.50) RORCNR1I2TACR1
SCHEMBL20139587 0.75 RORC (0.57) RORCNR1I2NR1H3NR1H2
Hydrochloric Acid SCHEMBL23683624 0.74 RORC (0.56) RORCNR1I2NR1H3NR1H2
SCHEMBL20148964 0.73 RORC (0.80) RORCNR1I2
SCHEMBL20139578 0.73 RORC (0.80) RORCNR1I2

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