SCHEMBL7275050

SCHEMBL7275050

C=CCC[C@@H]1C[C@@H](CNC(=O)CCCCCNC(=O)OC(C)(C)C)N(CCCc2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
CYP3A4 P08684 1/20 0.42
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CACNA1G O43497 2/20 0.39
FAAH O00519 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NAMPT P43490 2/20 0.37
GBA1 P04062 1/20 0.36

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
SCHEMBL7276712 0.99 SIGMAR1 (0.48) SIGMAR1CYP3A4HDAC3HDAC1HDAC8
SCHEMBL7273590 0.90 SIGMAR1 (0.51) SIGMAR1CYP3A4HDAC3HDAC1HDAC8
SCHEMBL7275906 0.89 SIGMAR1 (0.46) SIGMAR1CYP3A4HDAC3HDAC1HDAC8
SCHEMBL7273844 0.88 SIGMAR1 (0.51) SIGMAR1CYP3A4HDAC3HDAC1HDAC8
SCHEMBL7275131 0.88 SIGMAR1 (0.51) SIGMAR1CYP3A4HDAC3HDAC1HDAC8
SCHEMBL7274594 0.88 SIGMAR1 (0.51) SIGMAR1CYP3A4HDAC3HDAC1HDAC8
SCHEMBL7274726 0.88 SIGMAR1 (0.51) SIGMAR1CYP3A4HDAC3HDAC1HDAC8
SCHEMBL7283478 0.85 SIGMAR1 (0.54) SIGMAR1CYP3A4HDAC3HDAC1HDAC8
SCHEMBL7276194 0.84 SIGMAR1 (0.47) SIGMAR1CYP3A4HDAC3HDAC1HDAC8
SCHEMBL7284488 0.84 CYP3A4 (0.45) SIGMAR1CYP3A4HDAC3HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed