SCHEMBL7312169

SCHEMBL7312169

C=c1c(=O)[nH]c2n1Cc1cc(OCCCCC(=O)N(Cc3ccccc3)Cc3ccccc3)c(Cl)cc1N=2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.47
PDE3A Q14432 5/20 0.47
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 1/20 0.32
RAF1 P04049 2/20 0.32
MAP2K1 Q02750 2/20 0.32

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
SCHEMBL7307748 0.88 PDE3B (0.48) PDE3BPDE3AKDM4EMAPK1ATM
SCHEMBL7312258 0.85 PDE3B (0.42) PDE3BPDE3AKDM4EMAPK1LMNA
SCHEMBL7315783 0.83 PDE3B (0.66) PDE3BPDE3AMAPK1LMNANPC1
SCHEMBL7319732 0.82 PDE3B (0.42) PDE3BPDE3AKDM4EMAPK1LMNA
SCHEMBL7320379 0.82 PDE3B (0.60) PDE3BPDE3A
Acetic Acid SCHEMBL7314774 0.81 PDE3B (0.66) PDE3BPDE3AMAPK1LMNANPC1
SCHEMBL7319436 0.77 PDE3B (0.56) PDE3BPDE3AKDM4EHPGD
SCHEMBL7311914 0.77 PDE3B (0.51) PDE3BPDE3AKDM4ELMNANPC1
SCHEMBL7312688 0.77 PDE3B (0.51) PDE3BPDE3AKDM4E
SCHEMBL7315793 0.77 PDE3B (0.58) 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