SCHEMBL8395278

SCHEMBL8395278

CC(=O)N(CCC1CCCC1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.67
HTT P42858 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7806527 0.81 ACHE (1.00) ACHE
SCHEMBL27917801 0.81 ACHE (0.60) ACHEHTTMEN1KMT2ACYP3A4
SCHEMBL10099720 0.79 MEN1 (0.62) ACHEHTTMEN1KMT2ACYP3A4
SCHEMBL5276311 0.79 ACHE (0.78) ACHE
SCHEMBL8041935 0.76 ALDH1A1 (0.50) ACHEHTTMEN1KMT2ACYP3A4
SCHEMBL10398306 0.75 MEN1 (0.53) ACHEHTTMEN1KMT2ACYP3A4
SCHEMBL10399883 0.75 MEN1 (0.50) ACHEHTTMEN1KMT2AATM
SCHEMBL2069635 0.74 TP53 (0.59) ACHEHTTMEN1KMT2ACYP3A4
SCHEMBL6629576 0.74 ALDH1A1 (0.52) ACHEHTTMEN1KMT2ACYP3A4
SCHEMBL7808747 0.74 ACHE (1.00) ACHE

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