SCHEMBL8178647

SCHEMBL8178647

CC(C)[C@@H]1C[C@@H]([C@H](O)COCc2ccc(Cl)c(Cl)c2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
IDO1 P14902 2/20 0.33
PREP P48147 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL4551129 1.00 TACR1 (0.38) TACR1MAOAMAOBALDH1A1CRHBP
SCHEMBL8171940 0.84 CASR (0.39) TACR1MAOBHTT
SCHEMBL4088596 0.84 CASR (0.39) TACR1MAOBHTT
SCHEMBL3975545 0.83 HTT (0.44) TSHRHTT
SCHEMBL4746758 0.83 HTT (0.44) TSHRHTT
SCHEMBL13885375 0.82 TACR1 (0.34) TACR1MAOAMAOBALDH1A1CRHBP
SCHEMBL4743482 0.81 TACR1 (0.34) TACR1MAOBPREP
SCHEMBL8172060 0.78 REN (0.34) ALDH1A1TSHRHTT
SCHEMBL13885022 0.77 TDP1 (0.38) ALDH1A1HTT
SCHEMBL3985082 0.77 HTR1A (0.33) ALDH1A1TSHRHTT

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
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed