SCHEMBL20149052

SCHEMBL20149052

CC(C)(C)OC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@@](COCc2ccccc2)(c2ccc(F)c(C3CCCC3)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.51
TACR1 P25103 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.34
PRMT5 O14744 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL23712997 0.90 RORC (0.60) RORC
SCHEMBL20149072 0.88 RORC (0.50) RORCUSP30
SCHEMBL20139636 0.86 RORC (0.58) RORCTACR1
SCHEMBL23683600 0.86 RORC (0.58) RORCTACR1
SCHEMBL20140351 0.76 RORC (0.72) RORC
SCHEMBL20141079 0.76 RORC (0.72) RORC
SCHEMBL20139607 0.73 RORC (0.74) RORC
SCHEMBL20139658 0.73 RORC (0.74) RORC
SCHEMBL23683608 0.72 RORC (0.58) RORCUSP30
SCHEMBL20139710 0.72 RORC (0.58) RORCUSP30

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