SCHEMBL9705744

SCHEMBL9705744

O=C(O)CN(CCN(CC(=O)O)CC(=O)NC1CCN(Cc2ccccc2)CC1)CC(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.68
L3MBTL1 Q9Y468 1/20 0.63
POLB P06746 1/20 0.60

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
SCHEMBL6500245 0.84 SIGMAR1 (0.73) SIGMAR1L3MBTL1POLB
SCHEMBL5907033 0.83 SIGMAR1 (0.59) SIGMAR1L3MBTL1POLB
SCHEMBL29640480 0.83 SIGMAR1 (0.81) SIGMAR1L3MBTL1POLB
SCHEMBL6177317 0.82 SIGMAR1 (0.79) SIGMAR1L3MBTL1POLB
SCHEMBL5862113 0.82 SIGMAR1 (1.00) SIGMAR1
Bromide SCHEMBL5900201 0.81 SIGMAR1 (0.77) SIGMAR1L3MBTL1POLB
SCHEMBL28741993 0.81 SIGMAR1 (0.77) SIGMAR1L3MBTL1POLB
SCHEMBL5124505 0.80 SIGMAR1 (0.81) SIGMAR1L3MBTL1POLB
SCHEMBL3075354 0.80 SIGMAR1 (0.81) SIGMAR1L3MBTL1POLB
SCHEMBL5200766 0.80 SIGMAR1 (0.58) SIGMAR1L3MBTL1POLB

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
WO-1992011232-A1 CHELATING AGENTS NYCOMED IMAGING AS (NO) 1992-07-09 WO disclosed