SCHEMBL7282801

SCHEMBL7282801

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTNR1A P48039 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
SCN9A Q15858 2/20 0.36
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
HDAC8 Q9BY41 1/20 0.36
HTR1A P08908 2/20 0.36
SLC6A5 Q9Y345 1/20 0.35
NPY1R P25929 1/20 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
SCHEMBL7281991 0.94 KMT2A (0.36) KMT2AL3MBTL1MTNR1ASIGMAR1SCN9A
SCHEMBL7271758 0.94 SIGMAR1 (0.38) KMT2AL3MBTL1MTNR1ASIGMAR1SCN9A
SCHEMBL7276437 0.93 ITGB3 (0.40) KMT2AL3MBTL1SIGMAR1SCN9AITGB3
Water SCHEMBL7275052 0.87 ITGB3 (0.38) MTNR1AITGB3ITGA2BHTR1ASLC6A5
SCHEMBL7284329 0.87 ACACB (0.41) SIGMAR1ITGB3ITGA2BHTR1A
SCHEMBL7272709 0.85 SIGMAR1 (0.38) KMT2AL3MBTL1MTNR1ASIGMAR1HTR1A
SCHEMBL7286501 0.85 KDM4E (0.43) MTNR1ASIGMAR1ITGB3ITGA2BHTR1A
Water SCHEMBL7275243 0.85 KMT2A (0.40) KMT2AL3MBTL1SIGMAR1SCN9AHTR1A
SCHEMBL7277905 0.84 KDM4E (0.41) SIGMAR1ITGB3ITGA2BHTR1A
SCHEMBL7275558 0.84 MTNR1A (0.38) MTNR1AITGB3ITGA2BHTR1A

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