SCHEMBL7950933

SCHEMBL7950933

CC(C)(C)OC(=O)N1c2ccccc2CC1C(=O)N1c2ccccc2CC1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.51

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
SCHEMBL7950930 1.00 ACE (0.51) ACE
SCHEMBL31092820 0.95 ACE (0.55) ACE
SCHEMBL705456 0.95 ACE (0.55) ACE
SCHEMBL3702462 0.95 ACE (0.55) ACE
SCHEMBL927332 0.95 ACE (0.55) ACE
SCHEMBL29545684 0.95 ACE (0.55) ACE
SCHEMBL29443087 0.95 ACE (0.55) ACE
SCHEMBL7957322 0.88 DRD2 (0.47)
SCHEMBL17031897 0.84 NOTUM (0.44) ACE
SCHEMBL17032680 0.84 NOTUM (0.50) ACE

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-6258815-B1 HETEROCYCLIC COMPOUNDS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-07-10 US claimed
US-6258815-B1 HETEROCYCLIC COMPOUNDS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-07-10 US disclosed