SCHEMBL20149050

SCHEMBL20149050

CC(=O)N1CCC(C(=O)N2CC(c3ccc(F)cc3)C(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C2)CC1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.84
NR1I2 O75469 7/20 0.68
TACR1 P25103 3/20 0.58
TACR2 P21452 2/20 0.58

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
SCHEMBL23713056 0.91 RORC (1.00) RORCNR1I2TACR1
SCHEMBL23713117 0.82 RORC (1.00) RORCNR1I2TACR1
SCHEMBL20149031 0.81 RORC (1.00) RORCNR1I2
SCHEMBL20149245 0.81 RORC (1.00) RORCNR1I2
SCHEMBL20149055 0.81 RORC (0.56) RORCNR1I2
SCHEMBL20149129 0.80 RORC (0.80) RORCNR1I2TACR1TACR2
SCHEMBL20139742 0.79 RORC (1.00) RORCNR1I2
SCHEMBL20149057 0.78 RORC (1.00) RORCNR1I2TACR1
SCHEMBL23713066 0.76 RORC (1.00) RORCNR1I2
SCHEMBL15751783 0.76 TACR1 (0.70) RORCTACR1TACR2

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