SCHEMBL8892901

SCHEMBL8892901

[C]1c2ccccc2CCC1C1CCc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
ANPEP P15144 1/20 0.38
HTR1A P08908 3/20 0.35
GRIN2B Q13224 3/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP19A1 P11511 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
IDO1 P14902 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
SCHEMBL7980704 0.84 PRCP (0.39) PLAUSIGMAR1
SCHEMBL5693079 0.77 PLAU (0.60) PLAUANPEPHTR1AGRIN2BMTNR1A
SCHEMBL121704 0.72 PDPK1 (0.43) HTR1ASIGMAR1IDO1
SCHEMBL5256851 0.71 PDPK1 (0.39) SIGMAR1IDO1
SCHEMBL6026793 0.70 SIGMAR1 (0.54) HTR1ASIGMAR1
SCHEMBL1970744 0.69 IDO1 (0.41) SIGMAR1IDO1
SCHEMBL1383876 0.68 ANPEP (0.39) PLAUANPEPMTNR1AMTNR1BIDO1
SCHEMBL2183528 0.68 PDPK1 (0.37) PLAUMTNR1AMTNR1BMAOAMAOB
SCHEMBL3653495 0.68 PLAU (0.41) PLAUANPEPGRIN2BIDO1
SCHEMBL8332242 0.68 KDM4E (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614497-A TREATMENT OF HYPERTENSION, CARDIOVASCULAR DISEASE AND RENAL DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-25 US claimed