SCHEMBL7280897

SCHEMBL7280897

O=C(C[C@@H](Cc1ccccc1)C(=O)O)NCCCn1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.59
DUSP3 P51452 1/20 0.59
PTPN5 P54829 1/20 0.59
PTPN11 Q06124 1/20 0.59
QPCT Q16769 5/20 0.56
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
HRH4 Q9H3N8 1/20 0.50

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
SCHEMBL7426646 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HPGDDUSP3PTPN5
SCHEMBL10819292 0.82 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1HPGDDUSP3PTPN5
SCHEMBL10772703 0.81 TBXAS1 (0.66) SMN1; SMN2ALDH1A1HPGDDUSP3PTPN5
SCHEMBL7298841 0.81 KMT2A (0.48) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL10853278 0.80 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1QPCTMEN1TSHR
SCHEMBL7305085 0.79 HRH4 (0.61) SMN1; SMN2QPCTPOLBHRH4
SCHEMBL7305090 0.79 HRH4 (0.61) SMN1; SMN2QPCTPOLBHRH4
SCHEMBL9556789 0.79 HRH4 (0.61) SMN1; SMN2QPCTPOLBHRH4
SCHEMBL17117196 0.79 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1HPGDDUSP3PTPN5
SCHEMBL7302260 0.78 KDM4E (0.55) SMN1; SMN2ALDH1A1HPGDKMT2AL3MBTL1

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 6 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-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 EP disclosed