SCHEMBL8774305

SCHEMBL8774305

CC[C@H]1CC[C@H](C(=O)Oc2cc(F)c(F)nc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 4/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 1/20 0.34
GRK6 P43250 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 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
SCHEMBL8774310 1.00 HPGD (0.35) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL8774777 0.91 SCN9A (0.38) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL8774785 0.91 SCN9A (0.38) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL8774756 0.89 L3MBTL1 (0.37) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL8774765 0.89 L3MBTL1 (0.37) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL8774723 0.89 MAPT (0.37) HPGDKMT2ASCN9APOLBLMNA
SCHEMBL8774715 0.89 MAPT (0.37) HPGDKMT2ASCN9APOLBLMNA
SCHEMBL8774344 0.88 SCN9A (0.36) HPGDMEN1KMT2ASCN9ALMNA
SCHEMBL8774348 0.88 SCN9A (0.36) HPGDMEN1KMT2ASCN9ALMNA
SCHEMBL8774603 0.85 L3MBTL1 (0.35) HPGDMEN1KMT2ARAB9AL3MBTL1

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