SCHEMBL18929004

SCHEMBL18929004

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)c2c(c(C)c1-c1cc(F)c3c(c1C)CCCO3)CN(CC(C)C)C(=O)C2

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.45

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
SCHEMBL18919894 0.93 NR1I2 (0.51) NR1I2
SCHEMBL18920114 0.93 NR1I2 (0.51) NR1I2
SCHEMBL18919893 0.93 NR1I2 (0.51) NR1I2
SCHEMBL18928454 0.89 NR1I2 (0.43) NR1I2
SCHEMBL18928387 0.88 NR1I2 (0.42) NR1I2
SCHEMBL18928217 0.86 NR1I2 (0.50) NR1I2
SCHEMBL18928370 0.86 NR1I2 (0.44) NR1I2
SCHEMBL18928326 0.85 NR1I2 (0.43) NR1I2
SCHEMBL18928382 0.84 NR1I2 (0.42) NR1I2
SCHEMBL18928176 0.84 NR1I2 (0.45) NR1I2

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-2017093938-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2017-06-08 WO disclosed