SCHEMBL7283282

SCHEMBL7283282

C=CC[C@@H]1C[C@@H](CNC(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)N(CCCc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
SIGMAR1 Q99720 3/20 0.38
DRD2 P14416 1/20 0.36
HTR1A P08908 2/20 0.36
MAPK14 Q16539 1/20 0.36
ESR2 Q92731 1/20 0.35
STS P08842 1/20 0.35
NR1H2 P55055 1/20 0.35
BCHE P06276 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MTNR1A P48039 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL7286501 0.91 KDM4E (0.43) KDM4EPKMSIGMAR1HTR1AMAPK14
SCHEMBL7285483 0.87 NR1H2 (0.41) KDM4EPKMSIGMAR1HTR1AESR2
SCHEMBL7283192 0.86 NR1H2 (0.40) KDM4EPKMSIGMAR1HTR1AESR2
SCHEMBL7276136 0.85 SIGMAR1 (0.40) KDM4EPKMSIGMAR1DRD2HTR1A
SCHEMBL7272709 0.85 SIGMAR1 (0.38) SIGMAR1DRD2HTR1ANR1H2MTNR1A
SCHEMBL7277662 0.85 GHSR (0.38) SIGMAR1ESR2STSBCHEGPR119
SCHEMBL7275338 0.84 ITGB3 (0.40) KDM4EPKMSIGMAR1MAPK14NR1H2
SCHEMBL7277905 0.83 KDM4E (0.41) KDM4EPKMSIGMAR1HTR1A
SCHEMBL7275214 0.82 UTS2R (0.46) KDM4EPKMSTSSMN1; SMN2
SCHEMBL7273654 0.82 SIGMAR1 (0.44) SIGMAR1DRD2NR1H2SMN1; SMN2

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 3 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
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US 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