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SCHEMBL20002251

SCHEMBL20002251

CC(=O)N1CCC(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 13/20 0.52
▸ NR1I2 O75469 2/20 0.51
▸ CCR5 P51681 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL20002254 0.90 L3MBTL1 (0.48) RORCNR1I2CCR5L3MBTL1ALDH1A1
SCHEMBL20002731 0.88 L3MBTL1 (0.48) RORCNR1I2L3MBTL1ALDH1A1
SCHEMBL20002381 0.88 L3MBTL1 (0.56) RORCNR1I2L3MBTL1ALDH1A1
SCHEMBL20002434 0.88 L3MBTL1 (0.56) RORCNR1I2L3MBTL1ALDH1A1
SCHEMBL20002878 0.87 L3MBTL1 (0.46) RORCNR1I2CCR5L3MBTL1ALDH1A1
SCHEMBL20002790 0.87 L3MBTL1 (0.46) RORCNR1I2CCR5L3MBTL1ALDH1A1
SCHEMBL20002498 0.86 RORC (0.49) RORCL3MBTL1
SCHEMBL20003053 0.86 CCR5 (0.46) RORCNR1I2CCR5CYP11B1CYP11B2
SCHEMBL20002321 0.86 CCR5 (0.46) RORCNR1I2CCR5CYP11B1CYP11B2
SCHEMBL20002488 0.86 RORC (0.47) RORCNR1I2CCR5L3MBTL1ALDH1A1

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