SCHEMBL8394113

SCHEMBL8394113

O=C(NCCC1CCCCC1)OCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.60
HRH3 Q9Y5N1 7/20 0.60
NAAA Q02083 1/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EPHX2 P34913 1/20 0.52
EPHX1 P07099 2/20 0.50
BCHE P06276 1/20 0.49
CHRM4 P08173 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48

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
SCHEMBL8391877 1.00 HRH4 (0.60) HRH4HRH3NAAARAB9ANPC1
SCHEMBL8944438 0.99 HRH4 (0.58) HRH4HRH3NAAARAB9ANPC1
SCHEMBL8393787 0.96 HRH4 (0.56) HRH4HRH3NAAARAB9ANPC1
SCHEMBL8393953 0.94 HRH4 (0.61) HRH4HRH3NAAARAB9ANPC1
SCHEMBL8391909 0.94 HRH4 (0.61) HRH4HRH3NAAARAB9ANPC1
SCHEMBL8393228 0.94 HRH4 (0.58) HRH4HRH3NAAARAB9ANPC1
SCHEMBL8391620 0.93 HRH4 (0.59) HRH4HRH3NAAARAB9ANPC1
SCHEMBL8944446 0.92 EPHX2 (0.54) HRH4HRH3NAAARAB9ANPC1
SCHEMBL8395679 0.92 EPHX2 (0.54) HRH4HRH3NAAARAB9ANPC1
SCHEMBL8393530 0.91 EPHX2 (0.52) HRH4HRH3NAAARAB9ANPC1

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed