SCHEMBL8958455

SCHEMBL8958455

CCCCC1=N[C@@](C)(C2CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.73
AGTR1 P30556 2/20 0.57
LTB4R2 Q9NPC1 2/20 0.57

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
SCHEMBL8958449 1.00 ACHE (0.73) ACHEAGTR1LTB4R2
SCHEMBL8958445 1.00 ACHE (0.73) ACHEAGTR1LTB4R2
SCHEMBL8958325 0.90 ACHE (0.72) ACHEAGTR1LTB4R2
SCHEMBL8958320 0.90 ACHE (0.72) ACHEAGTR1LTB4R2
SCHEMBL8958315 0.90 ACHE (0.72) ACHEAGTR1LTB4R2
SCHEMBL8958308 0.88 ACHE (0.71) ACHEAGTR1LTB4R2
SCHEMBL8958312 0.88 ACHE (0.71) ACHEAGTR1LTB4R2
SCHEMBL8958301 0.88 ACHE (0.71) ACHEAGTR1LTB4R2
SCHEMBL8958442 0.86 ACHE (0.78) ACHEAGTR1LTB4R2
Trifluoroacetic Acid SCHEMBL8957969 0.86 AGTR1 (0.66) AGTR1LTB4R2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559233-A 3-/P-PHENYLBENZYL/IMIDAZOLONES AND PYRIMIDONES SANOFI (FR) 1996-09-24 US disclosed
US-5352788-A Angiotensin antagonist ELF SANOFI (FR) 1994-10-04 US disclosed
US-5270317-A N-substituted heterocyclic derivatives, their preparation and the pharmaceutical compositions in which they are present ELF SANOFI (FR) 1993-12-14 US disclosed