SCHEMBL8569405

SCHEMBL8569405

CCCCCCCCCCOc1cc(-c2ncccn2)ccc1CCCC(C)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.39
CNR1 P21554 8/20 0.39
PTPN11 Q06124 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR8 Q9NR97 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8568393 0.97 CNR2 (0.40) CNR2CNR1PTPN11TSHRMEN1
SCHEMBL8571237 0.89 CNR2 (0.41) CNR2CNR1PTPN11TSHRMEN1
SCHEMBL8565144 0.85 CNR2 (0.42) CNR2CNR1PTPN11TSHRMEN1
SCHEMBL8600729 0.80 KDM4E (0.32) MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7514979 0.78 RAB9A (0.41) CNR2CNR1MEN1KMT2ANPC1
SCHEMBL7512118 0.78 RAB9A (0.41) CNR2CNR1MEN1KMT2ANPC1
SCHEMBL7516127 0.78 RAB9A (0.41) CNR2CNR1MEN1KMT2ANPC1
SCHEMBL8566714 0.78 HTT (0.36) CNR2CNR1MEN1KMT2ANPC1
SCHEMBL8571879 0.75 FAAH (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7514869 0.75 CNR2 (0.43) CNR2CNR1MEN1KMT2ANPC1

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
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed