SCHEMBL20002810

SCHEMBL20002810

Fc1ccc(SC2(c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3)CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.61
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRL1 P41146 1/20 0.39
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL20003023 0.86 RORC (0.64) RORC
SCHEMBL20003108 0.85 RORC (0.47) RORCPOLBGAAMEN1KMT2A
SCHEMBL20002621 0.85 RORC (0.48) RORCPOLBGAAKMT2AOPRL1
SCHEMBL20002760 0.84 RORC (0.48) RORCPOLBGAAKMT2AOPRL1
SCHEMBL22662766 0.83 HRH3 (0.46) RORCMEN1KMT2A
SCHEMBL20003193 0.83 RORC (0.59) RORCPOLBGAAKMT2AOPRL1
SCHEMBL20002789 0.83 RORC (0.67) RORC
SCHEMBL20002797 0.81 RORC (0.64) RORCMEN1KMT2AOPRL1
SCHEMBL20002892 0.80 RORC (0.62) RORC
SCHEMBL20003101 0.79 RORC (0.47) RORCMEN1KMT2ACHRM2CYP3A4

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