SCHEMBL20002148

SCHEMBL20002148

CCOC(=O)C1CCN(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.55
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 4/20 0.47
HTT P42858 2/20 0.47
PKM P14618 2/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL20002459 0.83 RORC (0.51) RORCPKM
SCHEMBL20002942 0.81 RORC (0.45) RORCALDH1A1SMN1; SMN2KMT2A
SCHEMBL20002321 0.81 CCR5 (0.46) RORCPKM
SCHEMBL20003053 0.81 CCR5 (0.46) RORCPKM
SCHEMBL20002221 0.81 RORC (0.45) RORCL3MBTL1SMN1; SMN2HTTPKM
SCHEMBL20003003 0.81 EPHX2 (0.45) RORCL3MBTL1PKM
SCHEMBL20002563 0.81 EPHX2 (0.45) LMNAPOLBALDH1A1L3MBTL1KMT2A
SCHEMBL20003035 0.79 HTR2A (0.44) RORCL3MBTL1PKM
SCHEMBL20002322 0.78 PKM (0.60) RORCL3MBTL1SMN1; SMN2KMT2APKM
SCHEMBL20002933 0.78 RORC (0.46) RORCPOLBL3MBTL1PKM

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