SCHEMBL8096562

SCHEMBL8096562

CC1=C(C(=O)OCCF)C(c2cc(F)ccc2F)C(C(=O)OC2CCCC2)=C(C)N1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.52
NR3C2 P08235 1/20 0.44
ACHE P22303 1/20 0.41
MAPT P10636 1/20 0.40
ADORA2B P29275 1/20 0.39

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
SCHEMBL8914307 0.87 TP53 (0.47) TP53NR3C2ACHEMAPT
SCHEMBL8096601 0.83 MEN1 (0.47) NR3C2MAPT
SCHEMBL8084184 0.79 MAPT (0.63) TP53MAPT
SCHEMBL6945482 0.78 CACNA1B (0.48) MAPT
SCHEMBL8914575 0.77 TP53 (0.49) TP53NR3C2ACHEMAPT
Imidazole SCHEMBL8914572 0.77 TP53 (0.47) TP53NR3C2ACHEMAPT
SCHEMBL6951645 0.75 MEN1 (0.56) MAPT
SCHEMBL7887451 0.75 NR1I2 (0.55) TP53MAPT
SCHEMBL6953550 0.73 CACNA1F (0.50) TP53NR3C2MAPT
SCHEMBL8913434 0.72 TP53 (0.53) TP53NR3C2ACHEMAPT

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
US-6066655-A FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, IN PARTICULAR AS CEREBRAL THERAPEUTICS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-23 US disclosed
US-5731333-A LEARNING AND MEMORY ENHANCEMENT, ANTIDEPRESSANTS BAYER AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed