SCHEMBL7274241

SCHEMBL7274241

CC(C)(C)OC(=O)NCC1Cc2ccc(CC(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
TBXA2R P21731 1/20 0.34
DRD2 P14416 1/20 0.34
LTA4H P09960 1/20 0.34
GLS O94925 1/20 0.34
ACACB O00763 3/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
ACACA Q13085 2/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL7336889 0.91 SIGMAR1 (0.37) SIGMAR1ITGB3ITGA2BDRD2GLS
SCHEMBL8881851 0.91 SIGMAR1 (0.38) SIGMAR1TBXA2RDRD2LTA4HGLS
SCHEMBL7284329 0.89 ACACB (0.41) SIGMAR1ITGB3ITGA2BACACBACACA
SCHEMBL7276603 0.87 TBXA2R (0.35) ITGB3ITGA2BTBXA2RLTA4HMTNR1A
SCHEMBL7274430 0.85 MTNR1A (0.35) ITGB3ITGA2BTBXA2RLTA4HMTNR1A
SCHEMBL7274101 0.84 ITGB3 (0.41) SIGMAR1ITGB3ITGA2BACACBACACA
SCHEMBL7283478 0.82 SIGMAR1 (0.54) SIGMAR1
SCHEMBL7272740 0.82 SIGMAR1 (0.37) SIGMAR1DRD2GLSMTNR1ANAMPT
SCHEMBL7274726 0.82 SIGMAR1 (0.51) SIGMAR1NAMPT
SCHEMBL7284272 0.81 ITGB3 (0.37) SIGMAR1ITGB3ITGA2BMTNR1A

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