SCHEMBL20148919

SCHEMBL20148919

OC(c1ccc([C@@H]2CNC[C@H]2Cc2ccccc2)c(C2CCCC2)c1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.41
GBA1 P04062 1/20 0.38
MLYCD O95822 2/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
NR1H3 Q13133 4/20 0.35
NR1H2 P55055 3/20 0.35
RORA P35398 1/20 0.34
RORB Q92753 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL20139587 0.79 RORC (0.57) RORCGBA1MLYCDNR1H3NR1H2
Hydrochloric Acid SCHEMBL23683624 0.78 RORC (0.56) RORCGBA1MLYCDNR1H3NR1H2
SCHEMBL20149260 0.65 RORC (0.54) RORCMLYCDNR1H3NR1H2
SCHEMBL20139695 0.65 RORC (0.60) RORCNR1H2RORA
Hydrochloric Acid SCHEMBL16032992 0.63 GBA1 (0.56) RORCGBA1
SCHEMBL20140907 0.62 RORC (0.62) RORC
SCHEMBL3626633 0.62 NR1H2 (0.39) RORCMLYCDNR1H3NR1H2RORA
Bromide SCHEMBL7303884 0.60 GBA1 (0.49) GBA1
Bromide SCHEMBL7304419 0.60 GBA1 (0.49) GBA1
Bromide SCHEMBL7304433 0.60 GBA1 (0.49) GBA1

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