SCHEMBL8779252

SCHEMBL8779252

C[C@H](N)C(=O)NC(=O)Oc1nccc(OCC(F)(F)C(F)(F)F)c1O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.34
PRMT6 Q96LA8 2/20 0.34
AAK1 Q2M2I8 12/20 0.33
MAPT P10636 3/20 0.32
GSK3B P49841 2/20 0.32
ACACB O00763 1/20 0.32
CYP3A4 P08684 3/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL8779141 0.94 AAK1 (0.33) CARM1PRMT6AAK1MAPTGSK3B
SCHEMBL8779232 0.91 GSK3B (0.39) CARM1PRMT6AAK1MAPTGSK3B
SCHEMBL8779221 0.88 HTT (0.38) CARM1PRMT6AAK1MAPTGSK3B
SCHEMBL8779176 0.84 HPGD (0.38) CARM1PRMT6AAK1
SCHEMBL8779212 0.84 HPGD (0.38) CARM1PRMT6AAK1
SCHEMBL8779207 0.84 CARM1 (0.31) CARM1
SCHEMBL8779292 0.83 CARM1 (0.35) CARM1PRMT6AAK1CYP3A4
SCHEMBL8882279 0.83 MAPT (0.35) CARM1PRMT6AAK1MAPTGSK3B
SCHEMBL8779316 0.82 MME (0.39)
SCHEMBL8779325 0.82 IKBKB (0.37) CARM1PRMT6MAPTACACB

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-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed