SCHEMBL8393995

SCHEMBL8393995

CCOC(=O)NCCCC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
ACHE P22303 8/20 0.44
EPHX1 P07099 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL8396767 0.97 HRH4 (0.49) HRH4HRH3ACHEEPHX1SIGMAR1
SCHEMBL8396985 0.95 HRH4 (0.51) HRH4HRH3ACHEEPHX1SIGMAR1
SCHEMBL8392734 0.95 HRH4 (0.51) HRH4HRH3ACHEEPHX1SIGMAR1
SCHEMBL8393965 0.93 ACHE (0.47) HRH4HRH3ACHEHDAC3HDAC4
SCHEMBL8397005 0.90 EPHX1 (0.45) HRH4HRH3ACHEEPHX1SIGMAR1
SCHEMBL8944499 0.86 EPHX1 (0.49) HRH4HRH3ACHEEPHX1SIGMAR1
SCHEMBL8397097 0.85 EPHX1 (0.51) HRH4HRH3EPHX1SIGMAR1
SCHEMBL8396174 0.85 EPHX1 (0.51) HRH4HRH3EPHX1SIGMAR1
SCHEMBL8395155 0.84 EPHX1 (0.48) HRH4HRH3EPHX1SIGMAR1
SCHEMBL8395535 0.82 HRH4 (0.45) HRH4HRH3ACHEEPHX1

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