SCHEMBL10844784

SCHEMBL10844784

O=C1NC2=Nc3ccc(OCCCCCCCCO)c(Cl)c3CN2C1CO

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 19/20 0.49
PDE3A Q14432 19/20 0.49
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
MEN1 O00255 1/20 0.35
PDE2A O00408 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RY12 Q9H244 1/20 0.35
XDH P47989 1/20 0.33

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
SCHEMBL10844230 1.00 PDE3B (0.49) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10841625 1.00 PDE3B (0.49) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10844386 0.99 PDE3B (0.50) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10844852 0.96 PDE3B (0.51) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10845675 0.93 PDE3B (0.52) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10843423 0.92 PDE3B (0.47) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10845253 0.92 PDE3B (0.47) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10843626 0.92 PDE3B (0.47) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10848919 0.91 PDE3B (0.48) PDE3BPDE3ALMNACYP1A2CYP3A4
SCHEMBL10843437 0.91 PDE3B (0.46) PDE3BPDE3ALMNACYP1A2CYP3A4

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-4593029-A Enzyme inhibitor SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed