SCHEMBL6796450

SCHEMBL6796450

O=C1CC(=O)CC(c2cc(F)ccc2Cl)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
RECQL P46063 1/20 0.59
OPRL1 P41146 7/20 0.42
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
RBP4 P02753 2/20 0.37
SCD5 Q86SK9 1/20 0.37
LDHA P00338 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL11824957 0.86 TP53 (0.59) TP53RECQLOPRL1MAPTGAA
SCHEMBL7685669 0.82 TP53 (0.62) TP53RECQLMAPTGAALDHA
SCHEMBL6794027 0.82 KDM1A (0.46) TP53RECQLMAPTGAACHRNB2
SCHEMBL7689802 0.79 TP53 (0.59) TP53RECQLMAPTGAACHRNB2
SCHEMBL6794592 0.79 SLC9A1 (0.43) TP53RECQLMAPTGAACHRNB2
SCHEMBL1782899 0.79 TP53 (0.44) TP53RECQLOPRL1MAPTGAA
SCHEMBL1782611 0.76 TP53 (0.42) TP53RECQLMAPTGAACHRNB2
SCHEMBL30368483 0.76 TP53 (0.42) TP53RECQLOPRL1MAPTGAA
SCHEMBL7681304 0.76 HTR2A (0.45) TP53RECQLSLC6A2SLC6A4SLC6A3
SCHEMBL6797464 0.74 TP53 (1.00) TP53RECQLMAPTGAALDHA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706732-B1 PROPHYLACTIC AND THERAPEUTIC EFFECT ON MYOCARDIAL INFARCTION AND ACCOMPANYING DYSFUNCTIONS, ARRHYTHMIA, UNSTABLE ANGINA, CARDIAC HYPERTROPHY, ETC.; SODIUM-PROTON EXCHANGE INHIBITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-16 US disclosed
EP-1182194-A1 PERNASAL PREPARATIONS Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed
EP-0950418-A2 Composition for preventing or treating ischemic disease Takeda Chemical Industries, Ltd. (JP) 1999-10-20 EP disclosed