SCHEMBL20002447

SCHEMBL20002447

CCC1(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CCC(C)(C(=O)OC)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
RORC P51449 7/20 0.39
HTR2A P28223 3/20 0.36
HTR2C P28335 2/20 0.36
KCNH2 Q12809 2/20 0.36
NR1I2 O75469 1/20 0.36
PRKAA2 P54646 2/20 0.36
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
GPR6 P46095 1/20 0.34
CCR5 P51681 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
SCHEMBL20002978 0.90 RORC (0.42) EPHX2RORCHTR2AHTR2CKCNH2
SCHEMBL20002618 0.83 RORC (0.41) EPHX2RORCHTR2AHTR2CKCNH2
SCHEMBL20002489 0.77 RORC (0.46) EPHX2RORCHTR2AHTR2CKCNH2
SCHEMBL20002406 0.76 RORC (0.42) EPHX2RORCHTR2AHTR2CKCNH2
SCHEMBL20002497 0.75 RORC (0.44) RORCNR1I2PSEN1PSEN2APH1B
SCHEMBL20003153 0.74 RORC (0.41) EPHX2RORCHTR2AHTR2CKCNH2
SCHEMBL20002678 0.73 RORC (0.58) EPHX2RORCHTR2AHTR2CKCNH2
SCHEMBL20002567 0.72 RORC (0.45) EPHX2RORCHTR2AHTR2CKCNH2
SCHEMBL20002866 0.71 RORC (0.49) EPHX2RORCHTR2AHTR2CKCNH2
SCHEMBL20002828 0.71 RORC (0.54) EPHX2RORCHTR2AHTR2CKCNH2

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