SCHEMBL2765798

SCHEMBL2765798

CC(=O)N1CCN(C(=O)c2ccc(N3C[C@H](NC(=O)Oc4ccc(Br)s4)CC3=O)cc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2766424 1.00 POLB (0.41) POLBLMNATP53KDM4EMAPT
SCHEMBL2765159 0.93 POLB (0.41) POLBLMNATP53KDM4EMAPT
SCHEMBL2767027 0.93 POLB (0.41) POLBLMNATP53KDM4EMAPT
SCHEMBL2766124 0.93 LMNA (0.44) POLBLMNATP53KDM4EMAPT
SCHEMBL2765569 0.92 LMNA (0.46) POLBLMNATP53KDM4EMAPT
SCHEMBL2767137 0.92 LMNA (0.46) POLBLMNATP53KDM4EMAPT
SCHEMBL2767344 0.92 POLB (0.41) POLBLMNATP53KDM4EMAPT
SCHEMBL2766689 0.91 TP53 (0.40) POLBLMNATP53KDM4EMAPT
SCHEMBL2766681 0.91 LMNA (0.42) POLBLMNATP53KDM4EMAPT
SCHEMBL2768063 0.91 LMNA (0.42) POLBLMNATP53KDM4EMAPT

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-1858890-B1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2010-04-14 EP disclosed