SCHEMBL8396985

SCHEMBL8396985

CCOC(=O)NCCCC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.51
HRH3 Q9Y5N1 5/20 0.51
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
ACHE P22303 1/20 0.43
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8392734 1.00 HRH4 (0.51) HRH4HRH3EPHX1TSHRCYP1A2
SCHEMBL8396767 0.98 HRH4 (0.49) HRH4HRH3EPHX1TSHRSIGMAR1
SCHEMBL8393995 0.95 HRH4 (0.46) HRH4HRH3EPHX1SIGMAR1ACHE
SCHEMBL8393965 0.92 ACHE (0.47) HRH4HRH3ACHE
SCHEMBL8396174 0.90 EPHX1 (0.51) HRH4HRH3EPHX1TSHRSIGMAR1
SCHEMBL8397097 0.90 EPHX1 (0.51) HRH4HRH3EPHX1TSHRSIGMAR1
SCHEMBL8944499 0.88 EPHX1 (0.49) HRH4HRH3EPHX1SIGMAR1ACHE
SCHEMBL8391354 0.85 HRH4 (0.48) HRH4HRH3EPHX1CYP1A2SIGMAR1
SCHEMBL8394813 0.85 HRH4 (0.48) HRH4HRH3EPHX1CYP1A2SIGMAR1
SCHEMBL8397005 0.85 EPHX1 (0.45) HRH4HRH3EPHX1SIGMAR1ACHE

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