SCHEMBL7311499

SCHEMBL7311499

COC(=O)CN1CCN(C2OC(=O)N(CC3CCN(Cc4ccccc4)CC3)C2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.42
BCHE P06276 2/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
MAOB P27338 1/20 0.41
FAAH O00519 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CHRM4 P08173 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7309485 0.92 ALDH1A1 (0.41) ACHEBCHEDRD2DRD4FAAH
SCHEMBL7316859 0.92 ACHE (0.43) ACHEBCHEFAAH
SCHEMBL7309154 0.91 ACHE (0.45) ACHEBCHECHRM4
SCHEMBL7307268 0.90 LMNA (0.40) ACHEBCHEDRD2DRD4
SCHEMBL7317984 0.89 ACHE (0.43) ACHEBCHECHRM4
SCHEMBL7305852 0.89 ACHE (0.45) ACHEBCHECHRM4
SCHEMBL7305487 0.88 ALDH1A1 (0.42) ACHEFAAHALDH1A1TSHR
SCHEMBL7314518 0.86 ALDH1A1 (0.44) DRD2DRD4ALDH1A1CHRM4TSHR
SCHEMBL7314534 0.86 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL7316550 0.86 ACHE (0.42) ACHEBCHE

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
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed