SCHEMBL7320488

SCHEMBL7320488

C=c1c(=O)[nH]c2n1Cc1ccc(Cl)c(OCCCC(=O)N(CCO)CCCCC3CCCC3)c1N=2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.45
PDE3A Q14432 7/20 0.45
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7316831 0.83 PDE3B (0.48) PDE3BPDE3A
SCHEMBL7310194 0.81 PDE3B (0.47) PDE3BPDE3A
SCHEMBL7320483 0.76 PDE3B (0.46) PDE3BPDE3A
SCHEMBL7312798 0.74 PDE3B (0.44) PDE3BPDE3AMEN1ALDH1A1KMT2A
SCHEMBL7320355 0.72 PDE3B (0.40) PDE3BPDE3A
SCHEMBL7319304 0.72 PDE3B (0.49) PDE3BPDE3A
SCHEMBL7318804 0.71 PDE3B (0.41) PDE3BPDE3AALDH1A1
SCHEMBL7319721 0.70 PDE3B (0.56) PDE3BPDE3AMEN1KMT2A
SCHEMBL7312743 0.69 PDE3B (0.63) PDE3BPDE3A
SCHEMBL7308929 0.69 PDE3B (0.44) PDE3BPDE3AMEN1ALDH1A1KMT2A

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed