SCHEMBL20002926

SCHEMBL20002926

CC(=O)N1CCC(O)(C(=O)N2CCC([S+]([O-])c3ccc(F)cc3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.43
OPRL1 P41146 3/20 0.36
NR1I2 O75469 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAPK1 P28482 1/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL20002171 0.90 KMT2A (0.38) RORCMAPK1
SCHEMBL20002445 0.86 RORC (0.41) RORCKCNH2MAPK1
SCHEMBL20002207 0.85 RORC (0.45) RORCNR1I2
SCHEMBL20002924 0.84 MAPK1 (0.34) RORCMAPK1
SCHEMBL20002280 0.83 TACR1 (0.40) RORCNR1I2HDAC3HDAC1HDAC2
SCHEMBL20002856 0.83 RORC (0.42) RORCDPP4DPP7
SCHEMBL20002286 0.82 TACR1 (0.45) RORCNR1I2HDAC3HDAC1HDAC2
SCHEMBL20003044 0.81 RORC (0.40) RORC
SCHEMBL20003029 0.80 RORC (0.41) RORCMAPK1
SCHEMBL20003241 0.79 RORC (0.41) RORC

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