SCHEMBL7276437

SCHEMBL7276437

CC(C)(C)OC(=O)NC1CCc2cc(C(=O)NCC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
CHRM4 P08173 1/20 0.38
SLC6A5 Q9Y345 2/20 0.37
SIGMAR1 Q99720 3/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN9A Q15858 2/20 0.35
DRD4 P21917 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
DRD2 P14416 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
NPY1R P25929 1/20 0.34

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
SCHEMBL7282801 0.93 KMT2A (0.37) ITGB3ITGA2BSLC6A5SIGMAR1KMT2A
SCHEMBL7281991 0.88 KMT2A (0.36) SLC6A5SIGMAR1KMT2AL3MBTL1SCN9A
Water SCHEMBL7283903 0.88 ITGB3 (0.40) ITGB3ITGA2BCHRM4SLC6A5DRD4
SCHEMBL7271758 0.87 SIGMAR1 (0.38) ITGB3ITGA2BSIGMAR1KMT2AL3MBTL1
SCHEMBL7274101 0.87 ITGB3 (0.41) ITGB3ITGA2BCHRM4SIGMAR1OPRM1
SCHEMBL7275338 0.85 ITGB3 (0.40) ITGB3ITGA2BCHRM4SIGMAR1
SCHEMBL7276523 0.85 ITGB3 (0.43) ITGB3ITGA2BCHRM4SLC6A5DRD4
SCHEMBL7286536 0.85 ITGB3 (0.43) ITGB3ITGA2BCHRM4SIGMAR1
SCHEMBL7275524 0.85 ITGB3 (0.41) ITGB3ITGA2BCHRM4SLC6A5DRD4
SCHEMBL7285724 0.84 ITGB3 (0.41) ITGB3ITGA2BCHRM4SIGMAR1HDAC8

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