SCHEMBL8774609

SCHEMBL8774609

CCC1CCC(C2CCC(C(=O)Oc3cc(F)c(F)nc3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
CA2 P00918 1/20 0.34
HPGD P15428 4/20 0.33
GRK6 P43250 1/20 0.31
GRM1 Q13255 1/20 0.31
CYP19A1 P11511 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
TRPV3 Q8NET8 1/20 0.30

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
SCHEMBL8774597 1.00 L3MBTL1 (0.35) L3MBTL1MEN1RAB9AKMT2APOLB
SCHEMBL8774603 1.00 L3MBTL1 (0.35) L3MBTL1MEN1RAB9AKMT2APOLB
SCHEMBL8774765 0.96 L3MBTL1 (0.37) L3MBTL1MEN1RAB9AKMT2APOLB
SCHEMBL8774756 0.96 L3MBTL1 (0.37) L3MBTL1MEN1RAB9AKMT2APOLB
SCHEMBL8774786 0.91 KMT2A (0.33) L3MBTL1MEN1RAB9AKMT2APOLB
SCHEMBL8774779 0.91 KMT2A (0.33) L3MBTL1MEN1RAB9AKMT2APOLB
SCHEMBL8774795 0.91 KMT2A (0.33) L3MBTL1MEN1RAB9AKMT2APOLB
SCHEMBL8775007 0.89 MAPT (0.37) L3MBTL1MEN1RAB9AKMT2APOLB
SCHEMBL8775020 0.89 MAPT (0.37) L3MBTL1MEN1RAB9AKMT2APOLB
SCHEMBL8775011 0.89 MAPT (0.37) L3MBTL1MEN1RAB9AKMT2APOLB

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
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed