SCHEMBL17103758

SCHEMBL17103758

COc1ccc(OCc2cc(C3CCCN3C(=O)C(F)(F)C3(O)CC(C)(C)CC(C)(C)C3)n[nH]2)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.35
FKBP4 Q02790 1/20 0.34
FKBP5 Q13451 1/20 0.34
SCD O00767 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
HCRTR1 O43613 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
MCHR1 Q99705 4/20 0.32
MAPT P10636 1/20 0.32
GCK P35557 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HCRTR2 O43614 1/20 0.32
TRPC6 Q9Y210 1/20 0.32
GAA P10253 1/20 0.32
SCD5 Q86SK9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL17103757 1.00 FKBP1A (0.35) FKBP1AFKBP4FKBP5SCDNPC1
SCHEMBL17103771 0.86 NPC1 (0.45) SCDNPC1RAB9AHCRTR1HCRTR2
SCHEMBL17103774 0.86 NPC1 (0.45) SCDNPC1RAB9AHCRTR1HCRTR2
SCHEMBL17243790 0.86 FKBP1A (0.35) FKBP1AFKBP4FKBP5SCDHRH3
SCHEMBL17103738 0.85 FKBP1A (0.37) FKBP1AFKBP4FKBP5SCDNPC1
SCHEMBL17103739 0.85 FKBP1A (0.37) FKBP1AFKBP4FKBP5SCDNPC1
SCHEMBL17103786 0.85 CCNT1 (0.36) FKBP1AFKBP4FKBP5SCDHCRTR1
SCHEMBL17103787 0.85 CCNT1 (0.36) FKBP1AFKBP4FKBP5SCDHCRTR1
SCHEMBL17103766 0.82 SCD (0.39) FKBP1AFKBP4FKBP5SCDNPC1
SCHEMBL17103765 0.82 SCD (0.39) FKBP1AFKBP4FKBP5SCDNPC1

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-2687524-B1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2015-09-30 EP claimed