SCHEMBL20153576

SCHEMBL20153576

CC(N)[C@@H]1CCC2c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCCC21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.41
STS P08842 6/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
SRD5A1 P18405 1/20 0.34
PNMT P11086 1/20 0.32
PDE2A O00408 1/20 0.31

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
SCHEMBL20131459 0.93 RORC (0.44) RORCSTSCA1CA2CA5A
SCHEMBL22297741 0.93 RORC (0.44) RORCSTSCA1CA2CA5A
SCHEMBL22297830 0.77 RORC (0.52) RORCSTSCA1CA2CA5A
SCHEMBL20131713 0.74 RORC (0.50) RORCSTSCA1CA2CA5A
SCHEMBL22297487 0.74 RORC (0.50) RORCSTSCA1CA2CA5A
SCHEMBL20131962 0.74 RORC (0.53) RORCSTSCA1CA2CA5A
SCHEMBL22297735 0.74 RORC (0.53) RORCSTSCA1CA2CA5A
SCHEMBL22297799 0.74 STS (0.42) RORCSTSCA1CA2CA5A
SCHEMBL22297842 0.73 RORC (0.51) RORCSTSCA1CA2CA5A
SCHEMBL20153589 0.73 SRD5A1 (0.38) RORCSTSCA1CA2CA5A

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
WO-2018089402-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed