SCHEMBL7307268

SCHEMBL7307268

COC(=O)CCCN1CCN(C2OC(=O)N(CC3CCN(Cc4ccccc4)CC3)C2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
CACNA1G O43497 1/20 0.39
ACHE P22303 3/20 0.39
BCHE P06276 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38

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 0.95 ALDH1A1 (0.41) ACHEBCHEDRD2DRD4
SCHEMBL7303592 0.92 ACHE (0.42) CACNA1GACHEBCHEDRD2DRD4
SCHEMBL7308900 0.92 ACHE (0.42) ACHEBCHEDRD2DRD4
SCHEMBL7308778 0.91 LTA4H (0.42) CACNA1GACHEBCHE
SCHEMBL7316449 0.91 ACHE (0.43) ACHEBCHEDRD2DRD4
SCHEMBL7314334 0.90 CACNA1G (0.42) CACNA1GDRD2DRD4
SCHEMBL7314139 0.90 CACNA1G (0.42) LMNAOPRM1OPRD1CACNA1G
SCHEMBL7311499 0.90 ACHE (0.42) ACHEBCHEDRD2DRD4
SCHEMBL7310167 0.90 CACNA1G (0.42) CACNA1G
SCHEMBL7316550 0.88 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