SCHEMBL8393530

SCHEMBL8393530

O=C(NCCC1CCCC1)OCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
HRH4 Q9H3N8 5/20 0.52
HRH3 Q9Y5N1 5/20 0.52
BCHE P06276 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
NAAA Q02083 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TAAR1 Q96RJ0 2/20 0.46
TP53 P04637 1/20 0.46
EPHX1 P07099 1/20 0.46
TSHR P16473 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45

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
SCHEMBL8944446 0.99 EPHX2 (0.54) EPHX2HRH4HRH3BCHEMEN1
SCHEMBL8395679 0.99 EPHX2 (0.54) EPHX2HRH4HRH3BCHEMEN1
SCHEMBL8393802 0.97 HRH4 (0.49) EPHX2HRH4HRH3BCHEMEN1
SCHEMBL8944423 0.94 HRH4 (0.51) EPHX2HRH4HRH3MEN1KMT2A
SCHEMBL8944438 0.92 HRH4 (0.58) EPHX2HRH4HRH3BCHEMEN1
SCHEMBL8397004 0.92 HRH4 (0.55) EPHX2HRH4HRH3MEN1KMT2A
SCHEMBL8393364 0.91 HRH4 (0.56) EPHX2HRH4HRH3BCHEMEN1
SCHEMBL8391877 0.91 HRH4 (0.60) EPHX2HRH4HRH3BCHEMEN1
SCHEMBL8396568 0.91 HRH4 (0.56) EPHX2HRH4HRH3BCHEMEN1
SCHEMBL8394113 0.91 HRH4 (0.60) EPHX2HRH4HRH3BCHEMEN1

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