SCHEMBL7389744

SCHEMBL7389744

CO[C]1CCN(CCCCS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EPHX2 P34913 2/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 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
SCHEMBL7389513 0.80 HTR7 (0.48) HTR7MEN1KMT2AHTR2A
SCHEMBL7389746 0.80 HTR7 (0.60) HTR7MEN1KMT2AEPHX2HTR2A
SCHEMBL7392237 0.79 HTR7 (0.58) HTR7MEN1KMT2AEPHX2HTR2A
SCHEMBL7386280 0.77 HTR7 (0.56) HTR7MEN1KMT2AEPHX2HTR2A
SCHEMBL7388770 0.77 HTR7 (0.56) HTR7MEN1KMT2AEPHX2HTR2A
Hydrochloric Acid SCHEMBL7388430 0.75 HTR7 (0.46) HTR7MEN1KMT2AEPHX2HTR2A
SCHEMBL7392453 0.73 ALDH1A1 (0.43) HTR7MEN1KMT2ASIGMAR1
SCHEMBL7390164 0.73 ALDH1A1 (0.43) HTR7MEN1KMT2AHTR2ASIGMAR1
SCHEMBL11530025 0.73 KMT2A (0.82) HTR7MEN1KMT2AEPHX2SIGMAR1
SCHEMBL7390405 0.72 HTR1A (0.55) HTR7KMT2AHTR2A

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-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed