SCHEMBL7276445

SCHEMBL7276445

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
OPRM1 P35372 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR1A P08908 2/20 0.36
PTPN1 P18031 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
SCHEMBL7283192 0.94 NR1H2 (0.40) NAMPTKDM4EPKMOPRM1SIGMAR1
SCHEMBL7277905 0.94 KDM4E (0.41) NAMPTKDM4EPKMOPRM1SIGMAR1
SCHEMBL7286655 0.93 NAMPT (0.42) NAMPTKDM4EPKMSIGMAR1PTPN1
SCHEMBL7285483 0.88 NR1H2 (0.41) NAMPTKDM4EPKMOPRM1SIGMAR1
SCHEMBL7286896 0.87 NAMPT (0.39) NAMPTKDM4EPKMSIGMAR1PTPN1
SCHEMBL7286536 0.87 ITGB3 (0.43) NAMPTKDM4EPKMSIGMAR1PTPN1
SCHEMBL7286501 0.86 KDM4E (0.43) KDM4EPKMSIGMAR1HTR1A
SCHEMBL7281991 0.85 KMT2A (0.36) SIGMAR1HTR1A
SCHEMBL7273515 0.83 MTNR1A (0.38) NAMPTOPRM1HTR1A
SCHEMBL7285724 0.81 ITGB3 (0.41) NAMPTKDM4EPKMSIGMAR1PTPN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed