SCHEMBL9687305

SCHEMBL9687305

CCN(C(=O)CCCCOc1ccc2[nH]c(=O)cnc2c1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 19/20 0.54
PDE3A Q14432 19/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
PDE5A O76074 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
PTAFR P25105 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 1/20 0.54
PDE1A P54750 1/20 0.54
PDE1B Q01064 1/20 0.54
PMP22 Q01453 1/20 0.54
KMT2A Q03164 1/20 0.54
PDE1C Q14123 1/20 0.54
HSD17B10 Q99714 1/20 0.54
P2RY12 Q9H244 14/20 0.51

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
SCHEMBL9686132 0.97 PDE3B (0.57) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL9686919 0.89 PDE3B (0.68) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL9618679 0.86 PDE3B (0.72) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL11309329 0.85 PDE3B (0.74) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL11325426 0.84 PDE3B (0.73) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL9373879 0.83 PDE3B (0.57) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL11316381 0.82 PDE3B (0.79) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL11310341 0.82 PDE3B (0.79) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL11310039 0.82 PDE3B (0.79) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL11320102 0.81 PDE3B (0.77) PDE3BPDE3AKDM4EMEN1PDE5A

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
EP-0482948-A1 A medicament composition containing 6-substituted alkoxy quinoxaline derivative and its production ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-04-29 EP disclosed