SCHEMBL8553949

SCHEMBL8553949

COC(=O)C1CCN(CCNC(=O)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.45
TP53 P04637 5/20 0.45
MAPT P10636 4/20 0.45
THRB P10828 4/20 0.45
ACKR3 P25106 1/20 0.43

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
Hydrochloric Acid SCHEMBL8552279 0.82 MEN1 (0.38) THRB
SCHEMBL8553647 0.80 LMNA (0.43) LMNATP53MAPTTHRB
SCHEMBL8625016 0.79 KDM4E (0.49) LMNATP53MAPT
SCHEMBL8590974 0.78 L3MBTL1 (0.44) LMNATP53MAPTTHRB
SCHEMBL8550488 0.77 KDM4E (0.44) MAPTTHRB
SCHEMBL8553020 0.75 THRB (0.46) MAPTTHRB
SCHEMBL8552358 0.75 GLS (0.46)
SCHEMBL8549545 0.74 L3MBTL1 (0.43) LMNAMAPTTHRB
SCHEMBL17271545 0.73 RECQL (0.50) MAPT
SCHEMBL8551331 0.73 POLB (0.43) LMNAMAPTTHRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed