SCHEMBL11064304

SCHEMBL11064304

O=C1CC(OCCCC(=O)N(CCO)C2CCCCC2)c2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 17/20 0.46
PDE3A Q14432 17/20 0.46
P2RY12 Q9H244 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PDE2A O00408 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11071569 0.91 PDE3B (0.47) PDE3BPDE3AP2RY12ALDH1A1PDE2A
SCHEMBL11062550 0.89 PDE3B (0.40) PDE3BPDE3AP2RY12PDE2AL3MBTL1
SCHEMBL11058595 0.87 PDE3B (0.35) PDE3BPDE3AALDH1A1
SCHEMBL11067577 0.85 PDE3B (0.38) PDE3BPDE3AP2RY12ALDH1A1L3MBTL1
SCHEMBL11067714 0.81 PYGL (0.38) ALDH1A1
SCHEMBL11064332 0.80 PDE3B (0.38) PDE3BPDE3AP2RY12ALDH1A1PDE2A
SCHEMBL11071299 0.79 POLB (0.42) PDE3BPDE3AALDH1A1
SCHEMBL11064228 0.79 ALDH1A1 (0.40) PDE3BPDE3AALDH1A1
SCHEMBL11067436 0.79 PDE3B (0.47) PDE3BPDE3AP2RY12PDE2A
SCHEMBL11065090 0.79 PDE3B (0.33) PDE3BPDE3AP2RY12ALDH1A1PDE2A

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