SCHEMBL7272709

SCHEMBL7272709

C=CC[C@@H]1C[C@@H](CNC(=O)c2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)N(CCCc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 4/20 0.35
DRD3 P35462 3/20 0.35
HTR1A P08908 2/20 0.34
OPRM1 P35372 1/20 0.34
DRD4 P21917 1/20 0.33
NR1H2 P55055 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
KCNA3 P22001 1/20 0.33
MTNR1A P48039 1/20 0.33
NAMPT P43490 1/20 0.32

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
SCHEMBL7276136 0.92 SIGMAR1 (0.40) SIGMAR1DRD2DRD3HTR1AOPRM1
SCHEMBL7271758 0.91 SIGMAR1 (0.38) SIGMAR1KMT2AL3MBTL1HTR1AOPRM1
SCHEMBL7272740 0.90 SIGMAR1 (0.37) SIGMAR1KMT2AL3MBTL1DRD2DRD3
SCHEMBL7273654 0.86 SIGMAR1 (0.44) SIGMAR1DRD2DRD3OPRM1NR1H2
SCHEMBL7280539 0.85 SIGMAR1 (0.44) SIGMAR1DRD2DRD3HTR1AACACB
SCHEMBL7283282 0.85 KDM4E (0.41) SIGMAR1DRD2HTR1ANR1H2MTNR1A
SCHEMBL7282801 0.85 KMT2A (0.37) SIGMAR1KMT2AL3MBTL1HTR1AMTNR1A
SCHEMBL7281991 0.84 KMT2A (0.36) SIGMAR1KMT2AL3MBTL1HTR1AMTNR1A
SCHEMBL7304783 0.83 SIGMAR1 (0.39) SIGMAR1DRD2DRD3OPRM1NR1H2
SCHEMBL7284329 0.82 ACACB (0.41) SIGMAR1HTR1AOPRM1ACACBACACA

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