SCHEMBL7316751

SCHEMBL7316751

C=c1c(=O)[nH]c2n1Cc1c(ccc(OCCCCCCC(=O)N(C)Cc3ccccc3)c1C)N=2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.45
PDE3A Q14432 5/20 0.45
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 2/20 0.34
ACKR3 P25106 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 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
SCHEMBL7309538 0.97 PDE3B (0.48) PDE3BPDE3AKDM4EGAAHPGD
SCHEMBL7313037 0.89 PDE3B (0.46) PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7313112 0.85 PDE3B (0.40) PDE3BPDE3AKDM4EGAAHPGD
SCHEMBL7319436 0.82 PDE3B (0.56) PDE3BPDE3AKDM4EGAAHPGD
SCHEMBL7319732 0.78 PDE3B (0.42) PDE3BPDE3AKDM4EGAAHPGD
SCHEMBL7318939 0.78 PDE3B (0.50) PDE3BPDE3A
SCHEMBL7310542 0.78 PDE3B (0.50) PDE3BPDE3AKDM4EGAAHPGD
SCHEMBL7307748 0.78 PDE3B (0.48) PDE3BPDE3AKDM4ENPC1SMN1; SMN2
SCHEMBL7312258 0.78 PDE3B (0.42) PDE3BPDE3AKDM4EGAAHPGD
SCHEMBL7311818 0.76 PDE3B (0.45) PDE3BPDE3AKDM4EHPGDALDH1A1

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