SCHEMBL7314739

SCHEMBL7314739

COC(=O)CCN1CCN(C2OC(=O)N(CCC3CCN(Cc4ccccc4)CC3)C2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.43
BCHE P06276 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
CHRM4 P08173 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL7303592 0.95 ACHE (0.42) ACHEBCHECHRM4DRD2DRD4
SCHEMBL7311514 0.95 ACHE (0.42) ACHEBCHECHRM4DRD2DRD4
SCHEMBL7304824 0.94 ACHE (0.43) ACHEBCHECHRM4DRD2DRD4
SCHEMBL7309154 0.93 ACHE (0.45) ACHEBCHECHRM4
SCHEMBL7309485 0.92 ALDH1A1 (0.41) ACHEBCHEALDH1A1MEN1KMT2A
SCHEMBL7314468 0.92 ACHE (0.43) ACHEBCHE
SCHEMBL7308443 0.91 ACHE (0.46) ACHEBCHE
SCHEMBL7307041 0.91 KMT2A (0.44) ACHEALDH1A1MEN1KMT2AMAPT
SCHEMBL7308900 0.91 ACHE (0.42) ACHEBCHECHRM4DRD2DRD4
SCHEMBL7316449 0.90 ACHE (0.43) ACHEBCHECHRM4DRD2DRD4

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