SCHEMBL9079165

SCHEMBL9079165

O=C(CCCOc1cccc2ccccc12)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
HPGD P15428 6/20 0.63
RAB9A P51151 6/20 0.63
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 4/20 0.60
HRH3 Q9Y5N1 4/20 0.59
HTR2A P28223 2/20 0.59
HTR7 P34969 2/20 0.59
HTR6 P50406 2/20 0.59
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
HTT P42858 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL9470003 0.80 HPGD (0.63) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL27979632 0.77 ALDH1A1 (0.82) KMT2AMEN1HPGDRAB9ASMN1; SMN2
SCHEMBL7279604 0.77 HTR1B (0.65) KMT2AHPGDTDP1ALDH1A1KDM4E
SCHEMBL29865493 0.77 KDM4E (0.68) KMT2AHPGDTDP1ALDH1A1KDM4E
SCHEMBL5488944 0.77 KDM4E (0.68) KMT2AHPGDTDP1ALDH1A1KDM4E
Oxalic Acid SCHEMBL8780050 0.77 HRH3 (0.83) KMT2AMEN1LMNAHRH3HTR2A
SCHEMBL9470200 0.76 HPGD (0.59) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL14970546 0.76 HRH3 (0.89) KMT2AMEN1HRH3HTR2AHTR7
Oxalic Acid SCHEMBL8780098 0.75 TDP1 (0.85) KMT2AMEN1LMNAHRH3HTR2A
SCHEMBL1377331 0.75 ALDH1A1 (0.61) HPGDRAB9ASMN1; SMN2LMNATDP1

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
US-5543422-A HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS, FUNGICIDES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-08-06 US disclosed
EP-0662964-A1 HETEROCYCLIC AMINES HAVING COLMODULIN ANTAGONIST PROPERTIES. BRITISH TECH GROUP (GB) 1995-07-19 EP disclosed
WO-1994007875-A1 HETEROCYCLIC AMINES HAVING COLMODULIN ANTAGONIST PROPERTIES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-04-14 WO disclosed