SCHEMBL8774777

SCHEMBL8774777

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.38
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA2 P00918 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRK6 P43250 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
SCHEMBL8774785 1.00 SCN9A (0.38) SCN9AHPGDKMT2AMEN1RAB9A
SCHEMBL8774715 0.93 MAPT (0.37) SCN9AHPGDKMT2AHTTPOLB
SCHEMBL8774723 0.93 MAPT (0.37) SCN9AHPGDKMT2AHTTPOLB
SCHEMBL8774348 0.92 SCN9A (0.36) SCN9AHPGDKMT2AMEN1HTT
SCHEMBL8774344 0.92 SCN9A (0.36) SCN9AHPGDKMT2AMEN1HTT
SCHEMBL8774305 0.91 HPGD (0.35) SCN9AHPGDKMT2AMEN1RAB9A
SCHEMBL8774310 0.91 HPGD (0.35) SCN9AHPGDKMT2AMEN1RAB9A
SCHEMBL8774026 0.89 KMT2A (0.35) SCN9AHPGDKMT2AMEN1RAB9A
SCHEMBL8774033 0.89 KMT2A (0.35) SCN9AHPGDKMT2AMEN1RAB9A
SCHEMBL8774795 0.86 KMT2A (0.33) SCN9AHPGDKMT2AMEN1RAB9A

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