SCHEMBL11062867

SCHEMBL11062867

O=C1CCc2c(OCCCC(=O)N(CCO)C3CCCCC3)cccc2N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.44
PDE3B Q13370 8/20 0.42
PDE3A Q14432 8/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
BCHE P06276 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL11067941 0.85 PDE3B (0.43) PDE3BPDE3A
SCHEMBL11065451 0.83 PDE3B (0.53) PDE3BPDE3A
SCHEMBL11064269 0.80 PDE3B (0.39) HTR6PDE3BPDE3AL3MBTL1
SCHEMBL11317579 0.77 L3MBTL1 (0.45) HTR6L3MBTL1
SCHEMBL11067928 0.76 PDE3B (0.48) PDE3BPDE3A
SCHEMBL11071217 0.76 PDE3B (0.48) PDE3BPDE3A
SCHEMBL11065562 0.75 PDE3B (0.45) PDE3BPDE3A
SCHEMBL11071606 0.74 HTR6 (0.47) HTR6POLB
Hydrochloric Acid SCHEMBL11250180 0.74 HTR6 (0.60) HTR6L3MBTL1POLBBCHEEGLN1
Hydrochloric Acid SCHEMBL11238680 0.73 HTR6 (0.46) HTR6POLBBCHE

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-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed