SCHEMBL7275556

SCHEMBL7275556

CC(C)(C)OC(=O)NCc1cccc(OC[C@@H]2C[C@@H](CC(=O)O)C(=O)N2CCCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
CCKBR P32239 1/20 0.38
GLS O94925 2/20 0.38
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CACNA1G O43497 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
NAMPT P43490 2/20 0.35

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
SCHEMBL7283872 0.93 SIGMAR1 (0.44) SIGMAR1CACNA1GNAMPT
SCHEMBL7282506 0.92 SIGMAR1 (0.45) SIGMAR1CACNA1G
SCHEMBL7274737 0.92 SIGMAR1 (0.43) SIGMAR1CACNA1GITGB1ITGA5NAMPT
SCHEMBL7284474 0.90 SIGMAR1 (0.41) SIGMAR1CCKBRGLSBRD4CREBBP
SCHEMBL7275657 0.87 SIGMAR1 (0.46) SIGMAR1CACNA1GNAMPT
SCHEMBL7283862 0.86 OPRM1 (0.37) L3MBTL1ADRB2ADRB1ADRB3ITGB1
SCHEMBL7283236 0.86 SIGMAR1 (0.46) SIGMAR1CACNA1G
SCHEMBL7282068 0.85 SIGMAR1 (0.45) SIGMAR1CACNA1G
SCHEMBL7274557 0.84 SIGMAR1 (0.44) SIGMAR1CACNA1G
SCHEMBL7274234 0.84 SIGMAR1 (0.44) SIGMAR1CACNA1G

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