SCHEMBL7319732

SCHEMBL7319732

C=c1c(=O)[nH]c2n1Cc1c(ccc(Cl)c1OCCCCCC(=O)N(Cc1ccccc1)Cc1ccccc1)N=2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAMPT P43490 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX5 P09917 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
SCHEMBL7312258 0.85 PDE3B (0.42) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7312169 0.82 PDE3B (0.47) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7307748 0.78 PDE3B (0.48) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7316751 0.78 PDE3B (0.45) PDE3BPDE3ANPC1MAPK1HSD17B10
SCHEMBL7315783 0.78 PDE3B (0.66) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7313112 0.78 PDE3B (0.40) PDE3BPDE3ANPC1MAPK1SMN1; SMN2
SCHEMBL7318331 0.78 PDE3B (0.48) PDE3BPDE3ALMNANPC1ALOX15
Acetic Acid SCHEMBL7314774 0.76 PDE3B (0.66) PDE3BPDE3ALMNANPC1ALOX15
SCHEMBL7309538 0.75 PDE3B (0.48) PDE3BPDE3ANPC1MAPK1HSD17B10
SCHEMBL7313037 0.73 PDE3B (0.46) PDE3BPDE3ALMNAALDH1A1KDM4E

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