SCHEMBL20148976

SCHEMBL20148976

CC(C)(C)OC(=O)N1CC(c2ccc(F)cc2)C(c2ccc(Br)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.57
USP30 Q70CQ3 1/20 0.49
PDE4B Q07343 3/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
FPR2 P25090 2/20 0.43
FPR3 P25089 1/20 0.43
TACR1 P25103 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL20149241 1.00 RORC (0.57) RORCUSP30PDE4BHDAC1HDAC2
SCHEMBL20139618 0.88 RORC (0.68) RORCUSP30PDE4BFPR2FPR3
SCHEMBL20148981 0.88 RORC (0.68) RORCUSP30PDE4BFPR2FPR3
SCHEMBL20148899 0.88 RORC (0.72) RORCUSP30PDE4BHDAC1HDAC2
SCHEMBL30912445 0.87 RORC (0.54) RORCUSP30PDE4BFPR2FPR3
SCHEMBL19459113 0.87 RORC (0.54) RORCUSP30PDE4BFPR2FPR3
SCHEMBL16070094 0.85 RORC (0.55) RORCPDE4BHDAC1HDAC2TACR1
SCHEMBL1992736 0.85 RORC (0.52) RORCUSP30PDE4BFPR2FPR3
SCHEMBL3993928 0.85 RORC (0.55) RORCPDE4BHDAC1HDAC2TACR1
SCHEMBL6917693 0.85 RORC (0.52) RORCUSP30PDE4BFPR2FPR3

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