SCHEMBL20002751

SCHEMBL20002751

O=C(O)C1CCC(C(=O)N2CCC([S+]([O-])c3ccc(F)cc3)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
RORC P51449 13/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C8 P10632 1/20 0.40

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
SCHEMBL20002685 0.90 HSD11B1 (0.41) RORCL3MBTL1MAPT
SCHEMBL20002706 0.89 HSD11B1 (0.47) RORCL3MBTL1
SCHEMBL20002698 0.89 HSD11B1 (0.47) RORCL3MBTL1
SCHEMBL20002969 0.88 NOTUM (0.45) NOTUMRORCL3MBTL1MAPT
SCHEMBL20002669 0.88 NOTUM (0.45) NOTUMRORCL3MBTL1MAPT
SCHEMBL20002286 0.87 TACR1 (0.45) RORC
SCHEMBL20002400 0.87 TACR3 (0.42) RORCL3MBTL1MAPT
SCHEMBL20002564 0.87 NAMPT (0.41) L3MBTL1
SCHEMBL22662762 0.86 SLC6A9 (0.43) RORC
SCHEMBL20002863 0.86 L3MBTL1 (0.39) RORCL3MBTL1MAPT

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-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed