SCHEMBL7304561

SCHEMBL7304561

O=C(NCCCc1ccccn1)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GPR132 Q9UNW8 1/20 0.51
NAALAD2 Q9Y3Q0 1/20 0.48
TSHR P16473 2/20 0.47

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
SCHEMBL7300251 0.88 KMT2A (0.53) LMNAKMT2AMAPTTSHR
SCHEMBL8157305 0.80 GPR132 (0.57) KMT2AALDH1A1MAPTGPR132NAALAD2
SCHEMBL7280357 0.79 LMNA (0.51) LMNAKMT2AALDH1A1MAPTL3MBTL1
SCHEMBL17117301 0.78 EPHX2 (0.61) KMT2AL3MBTL1
SCHEMBL30195922 0.78 NAALAD2 (0.68) LMNAKMT2AALDH1A1MAPTL3MBTL1
SCHEMBL6121330 0.78 LMNA (0.74) LMNAKMT2AALDH1A1MAPTL3MBTL1
SCHEMBL9557811 0.77 GPR132 (0.54) KMT2AGPR132
SCHEMBL2843465 0.76 SMN1; SMN2 (0.58) LMNAALDH1A1
SCHEMBL7301528 0.75 KMT2A (0.87) LMNAKMT2AALDH1A1TSHR
SCHEMBL7274173 0.75 KMT2A (0.51) KMT2AALDH1A1MAPTGPR132TSHR

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
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed