SCHEMBL6636995

SCHEMBL6636995

CCCN1CCCC2(C1)C(=O)Nc1ccc(Cl)nc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.43
HTR2A P28223 11/20 0.43
HTR7 P34969 11/20 0.43
HTR6 P50406 11/20 0.43
PGR P06401 3/20 0.35
PIK3CD O00329 1/20 0.34
IP6K1 Q92551 2/20 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
SCHEMBL6634875 0.81 HTR7 (0.41) HTR1AHTR2AHTR7HTR6
SCHEMBL17806129 0.77 PGR (0.46) PGRIP6K1
SCHEMBL6634486 0.77 HTR7 (0.44) HTR1AHTR2AHTR7HTR6
SCHEMBL6638270 0.76 HTR7 (0.60) HTR1AHTR2AHTR7HTR6
SCHEMBL6636447 0.76 HTR7 (0.60) HTR1AHTR2AHTR7HTR6
SCHEMBL6635868 0.76 HTR7 (0.60) HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL6635087 0.76 HTR7 (0.43) HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL6747853 0.76 HTR7 (0.43) HTR1AHTR2AHTR7HTR6
SCHEMBL30540607 0.75 PGR (0.42) HTR1AHTR2AHTR7HTR6PGR
Hydrochloric Acid SCHEMBL6639494 0.75 HTR7 (0.59) HTR1AHTR2AHTR7HTR6

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
EP-1202994-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2004-04-14 EP claimed