SCHEMBL4743482

SCHEMBL4743482

CC(C)C1CC(C(O)COCc2cc(F)cc(F)c2)OC1=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.34
PREP P48147 1/20 0.31
MAOB P27338 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
SCHEMBL8141606 0.87 TACR1 (0.33) TACR1MAOB
SCHEMBL4746758 0.83 HTT (0.44)
SCHEMBL3975545 0.83 HTT (0.44)
SCHEMBL4551129 0.81 TACR1 (0.38) TACR1PREPMAOB
SCHEMBL8178647 0.81 TACR1 (0.38) TACR1PREPMAOB
SCHEMBL4088596 0.80 CASR (0.39) TACR1MAOB
SCHEMBL8171940 0.80 CASR (0.39) TACR1MAOB
SCHEMBL3985082 0.77 HTR1A (0.33)
SCHEMBL8171740 0.77 HTR1A (0.33)
SCHEMBL4746621 0.76 HMGCR (0.33)

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-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed