SCHEMBL20139609

SCHEMBL20139609

CCCCOC(=O)N1CC(c2ccc(Br)cc2)C(CO)(c2ccc(F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.46
DRD1 P21728 1/20 0.38
PTGER2 P43116 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
NR1I2 O75469 4/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL20139710 0.83 RORC (0.58) RORCNR1I2
SCHEMBL23683608 0.83 RORC (0.58) RORCNR1I2
SCHEMBL23112637 0.71 LMNA (0.43) RORCDRD1
SCHEMBL23112760 0.70 LMNA (0.42) RORC
SCHEMBL23112618 0.70 LMNA (0.42) RORC
SCHEMBL20139636 0.70 RORC (0.58) RORCNR1I2
SCHEMBL23683600 0.70 RORC (0.58) RORCNR1I2
SCHEMBL20149072 0.69 RORC (0.50) RORC
SCHEMBL20140441 0.68 RORC (0.80) RORC
SCHEMBL20139603 0.68 RORC (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538522-A1 ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed