SCHEMBL4583305

SCHEMBL4583305

CCOC(=O)OC1CN(C(=O)c2ccc3c(c2)CCN(C)C3)CC1NC(=O)c1ccc(Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.45
F2 P00734 4/20 0.45
F11 P03951 3/20 0.45
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4585098 0.98 F10 (0.46) F10F2F11LMNAKMT2A
SCHEMBL8476746 0.91 F10 (0.43) F10F2F11LMNAKMT2A
SCHEMBL3305811 0.88 F10 (0.44) F10F2F11LMNAKMT2A
SCHEMBL8502118 0.88 F10 (0.44) F10F2F11LMNAKMT2A
SCHEMBL13394834 0.88 F10 (0.46) F10F2F11KDM4EMEN1
SCHEMBL4582915 0.87 F10 (0.46) F10F2F11LMNAKMT2A
SCHEMBL3309135 0.85 F10 (0.45) F10F2F11LMNAKMT2A
SCHEMBL8487514 0.85 F10 (0.45) F10F2F11LMNAKMT2A
SCHEMBL8476783 0.85 F10 (0.47) F10F2F11LMNAKMT2A
SCHEMBL3308348 0.84 F10 (0.45) F10F2F11

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-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed