SCHEMBL15068679

SCHEMBL15068679

O=c1oc2cc(N3CC4CCC3CN4)ccc2cc1-c1cc2ccccn2n1.O=c1oc2cc(N3CCCNCC3)ccc2cc1-c1cc2ccccn2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.49
PDE7A Q13946 3/20 0.33
PDE4D Q08499 1/20 0.33
PDE7B Q9NP56 1/20 0.33
KHK P50053 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
SLC16A3 O15427 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR5A P47898 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALK Q9UM73 1/20 0.30
HTR6 P50406 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL15086180 0.91 MIF (0.59) MIFKHKCHRNB2CHRNA4NPC1
SCHEMBL15086189 0.89 MIF (0.61) MIFPDE7APDE4DPDE7BKHK
SCHEMBL15065976 0.85 MIF (0.66) MIFKHKSLC16A3HTR3EHTR3B
SCHEMBL16669582 0.77 MIF (0.45) MIFPDE7APDE4DPDE7BKHK
SCHEMBL16669743 0.77 MIF (0.60) MIFSLC16A3HTR3AALKHTR6
SCHEMBL15067288 0.76 MIF (0.64) MIFSLC16A3HTR3AALKHTR6
SCHEMBL16669565 0.76 MIF (0.61) MIFKHKSLC16A3ALKNPC1
SCHEMBL21291692 0.74 MIF (0.62) MIFKHKSLC16A3ALKNPC1
SCHEMBL21291693 0.74 MIF (0.62) MIFKHKSLC16A3ALKNPC1
SCHEMBL15068994 0.74 MIF (0.62) MIFKHKSLC16A3ALKNPC1

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-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP claimed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO claimed