SCHEMBL20149048

SCHEMBL20149048

C#C[C@]1(c2ccc(F)cc2)CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccc(-c2c(F)cccc2F)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 19/20 0.77
NR1I2 O75469 6/20 0.53
TACR3 P29371 1/20 0.46
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43

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
SCHEMBL23713009 0.87 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL23713006 0.73 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL20149104 0.73 RORC (0.71) RORCTACR3
SCHEMBL23713094 0.70 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL20149245 0.69 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL20149031 0.69 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL23713149 0.68 RORC (1.00) RORCTACR3
SCHEMBL20139742 0.67 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL20139611 0.66 RORC (0.69) RORC
SCHEMBL20139613 0.66 RORC (0.69) RORC

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