SCHEMBL8882129

SCHEMBL8882129

C[C@H](N)C(=O)NC(=O)c1nccc(OCC(F)(F)C(F)(F)C(F)(F)F)c1O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
GSK3B P49841 2/20 0.34
AAK1 Q2M2I8 6/20 0.33
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 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
SCHEMBL8882279 0.94 MAPT (0.35) MAPTGSK3BAAK1CARM1PRMT6
SCHEMBL8883675 0.89 GSK3B (0.42) MAPTGSK3B
SCHEMBL8883898 0.86 KMT2A (0.39) MAPTGSK3BAAK1CARM1PRMT6
SCHEMBL8880853 0.84 CYP1A2 (0.31) MAPT
SCHEMBL8779141 0.83 AAK1 (0.33) MAPTGSK3BAAK1CARM1PRMT6
SCHEMBL8882700 0.82 GRIN3B (0.39) AAK1
SCHEMBL8882767 0.82 GRIN3B (0.39) AAK1
SCHEMBL8883971 0.81 CYP3A4 (0.35) MAPTGSK3BAAK1
SCHEMBL8883362 0.80 IKBKB (0.38) MAPTCARM1PRMT6
SCHEMBL8882922 0.80 IKBKB (0.38) MAPTCARM1PRMT6

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-5620995-A Substituted heterocyclic carboxyamides, their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed