SCHEMBL9626802

SCHEMBL9626802

O=C(O)OC1CC2CC=CC2N1.O=C(O)OC1C[C@H]2CC=C[C@H]2N1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.30

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
SCHEMBL9627515 1.00 ABAT (0.30) ABAT
SCHEMBL10588604 1.00 ABAT (0.30) ABAT
SCHEMBL9626053 1.00 ABAT (0.30) ABAT
SCHEMBL4021045 0.83 CHRNB2 (0.31)
SCHEMBL10913961 0.83 CHRNB2 (0.31)
SCHEMBL10405684 0.73 CYP2D6 (0.48) ABAT
SCHEMBL9773132 0.73 CYP2D6 (0.48) ABAT
SCHEMBL9356064 0.72 CYP2D6 (0.41)
SCHEMBL9356332 0.72 CYP2D6 (0.41)
SCHEMBL10347848 0.70 CYP2D6 (0.32)

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-0203450-B1 DERIVATIVES OF BICYCLIC AMINO ACIDS PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-01 EP disclosed
EP-0203450-A2 Derivatives of bicyclic amino acids process for their preparation, agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-12-03 EP disclosed