SCHEMBL6797058

SCHEMBL6797058

Cc1ccc(F)cc1C1CC(=O)C=C(N)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
SLC9A1 P19634 4/20 0.42
SLC9A2 Q9UBY0 4/20 0.42
SLC9A3 P48764 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.34
HTR7 P34969 1/20 0.33

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
SCHEMBL7682913 0.85 SRD5A1 (0.38) L3MBTL1TDP1
SCHEMBL7685298 0.82 L3MBTL1 (0.45) L3MBTL1
SCHEMBL12958096 0.79 SLC9A1 (0.45) L3MBTL1SLC9A1SLC9A2SLC9A3HTR7
SCHEMBL7689625 0.77 L3MBTL1 (0.47) L3MBTL1TDP1
SCHEMBL6794592 0.76 SLC9A1 (0.43) L3MBTL1SLC9A1SLC9A2SLC9A3HTR7
SCHEMBL7560076 0.75 L3MBTL1 (0.36) L3MBTL1SLC9A1SLC9A2SLC9A3TDP1
SCHEMBL10034989 0.71 OPRL1 (0.44) SLC9A1SLC9A2SLC9A3
SCHEMBL7683121 0.71 ALDH1A1 (0.60) L3MBTL1TDP1
SCHEMBL7690082 0.71 POLB (0.36) L3MBTL1TDP1
SCHEMBL11830644 0.70 PTGDR2 (0.38) SLC9A1SLC9A2SLC9A3HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229019-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP claimed
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-1229019-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP 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