Sugi Predict

Sugi Predict / Compounds / SCHEMBL20002321

SCHEMBL20002321

SCHEMBL20002321

CC(=O)N1CCN(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.46
▸ RORC P51449 13/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ NR1I2 O75469 1/20 0.45
▸ GPR6 P46095 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ EPHX2 P34913 1/20 0.43

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
SCHEMBL20003053 1.00 CCR5 (0.46) CCR5RORCCYP11B1CYP11B2NR1I2
SCHEMBL20002221 0.90 RORC (0.45) CCR5RORCPKMEPHX2
SCHEMBL20003003 0.87 EPHX2 (0.45) CCR5RORCGPR6PKMEPHX2
SCHEMBL20002563 0.87 EPHX2 (0.45) PKMEPHX2
SCHEMBL20003234 0.86 HTR2A (0.45) RORCPKMEPHX2
SCHEMBL20002251 0.86 RORC (0.52) CCR5RORCCYP11B1CYP11B2NR1I2
SCHEMBL20003035 0.85 HTR2A (0.44) CCR5RORCGPR6PKMEPHX2
SCHEMBL20002459 0.85 RORC (0.51) RORCPKMEPHX2
SCHEMBL20002322 0.85 PKM (0.60) RORCPKMEPHX2
SCHEMBL20002346 0.84 RORC (0.50) RORCPKMEPHX2

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