SCHEMBL7312088

SCHEMBL7312088

CN(Cc1ccccc1)C(=O)COc1cc(F)c2c(c1)CN1C(=N2)NC(=O)C1CO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.46
PDE3A Q14432 8/20 0.46
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL7310848 0.83 PDE3B (0.52) PDE3BPDE3AMEN1KMT2A
SCHEMBL7311992 0.81 PDE3B (0.58) PDE3BPDE3A
SCHEMBL7317443 0.76 RAB9A (0.45) PDE3BPDE3ARAB9ANPC1SMN1; SMN2
SCHEMBL7318826 0.76 PDE3B (0.58) PDE3BPDE3A
SCHEMBL7317227 0.73 PDE3B (0.60) PDE3BPDE3A
SCHEMBL7316240 0.72 PDE3B (0.71) PDE3BPDE3A
SCHEMBL7312634 0.71 PDE3B (0.44) PDE3BPDE3ARAB9ANPC1MEN1
SCHEMBL7309559 0.71 PDE3B (0.52) PDE3BPDE3A
SCHEMBL7313823 0.70 PDE3B (0.53) PDE3BPDE3A
SCHEMBL7318939 0.69 PDE3B (0.50) PDE3BPDE3A

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