SCHEMBL21574635

SCHEMBL21574635

COc1nc2ccc(C(O)(c3ccccc3)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(N2C=NCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.77
ADRA2B P18089 1/20 0.77
PPARG P37231 1/20 0.77
PPARD Q03181 1/20 0.77
NR1H3 Q13133 1/20 0.77
NR1I3 Q14994 1/20 0.77
TMEM97 Q5BJF2 1/20 0.77
NR1H4 Q96RI1 1/20 0.77
SIGMAR1 Q99720 1/20 0.77

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
SCHEMBL16475384 0.89 RORC (0.82) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL16632953 0.88 RORC (0.83) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL16632681 0.88 RORC (0.78) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL16632825 0.88 RORC (0.82) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL16632826 0.88 RORC (0.80) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL16639471 0.88 RORC (0.77) RORCADRA2BPPARGPPARDNR1H3
Jnj-54119936 SCHEMBL16462313 0.87 RORC (1.00) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL16632893 0.86 RORC (0.84) RORCADRA2BPPARGPPARDNR1H3
SCHEMBL16652065 0.83 RORC (1.00) RORC
SCHEMBL16462458 0.83 RORC (1.00) RORCADRA2BPPARGPPARDNR1H3

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
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed