SCHEMBL7308462

SCHEMBL7308462

C=c1c(=O)[nH]c2n1Cc1c(cccc1OCCCCCCC(=O)NC1NCCc3ccccc31)N=2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
HTR1A P08908 3/20 0.32
HTR7 P34969 2/20 0.32
DRD2 P14416 1/20 0.32
HDAC1 Q13547 3/20 0.31
S1PR5 Q9H228 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
OPRM1 P35372 1/20 0.30
ROCK2 O75116 1/20 0.30
PARP1 P09874 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
SCHEMBL7320826 0.82 PDE3B (0.56) PDE3BPDE3ASMN1; SMN2
SCHEMBL7308468 0.81 PDE3B (0.34) PDE3BPDE3A
SCHEMBL7321172 0.80 PDE3B (0.38) PDE3BPDE3AMEN1KMT2ACNR1
SCHEMBL7310172 0.69 DRD2 (0.41) MEN1KMT2ACNR1CNR2DRD2
SCHEMBL7317796 0.69 PDE3B (0.69) PDE3BPDE3A
SCHEMBL7318574 0.69 MEN1 (0.41) MEN1KMT2ACNR1CNR2DRD2
SCHEMBL7314537 0.69 PDE3B (0.43) PDE3BPDE3ACNR1CNR2HDAC1
SCHEMBL7312977 0.68 SIRT3 (0.43) MEN1KMT2ACNR1CNR2HTR1A
SCHEMBL7313946 0.67 PDE3B (0.52) PDE3BPDE3A
SCHEMBL7316751 0.66 PDE3B (0.45) PDE3BPDE3AMEN1KMT2ASMN1; SMN2

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