SCHEMBL8140677

SCHEMBL8140677

CCCCCCC(C(C)O)n1cnc2c(=O)[nH]c(-c3ccccc3OCCC)nc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.60
PDE1A P54750 5/20 0.52
PDE1B Q01064 5/20 0.52
PDE1C Q14123 5/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
PDE2A O00408 2/20 0.49
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
MEN1 O00255 1/20 0.49
PDE6D O43924 1/20 0.49
USP2 O75604 1/20 0.49
PDE9A O76083 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL8141812 0.93 PDE5A (0.56) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8140101 0.92 PDE5A (0.56) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8144996 0.91 PDE5A (0.60) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8141867 0.91 PDE5A (0.57) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8141453 0.91 PDE5A (0.59) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8141473 0.90 PDE5A (0.56) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8141773 0.89 PDE5A (0.55) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8144966 0.88 PDE5A (0.54) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8144987 0.88 PDE5A (0.56) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8132822 0.88 PDE5A (0.56) PDE5APDE1APDE1BPDE1CKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866571-A TREATMENT OF INFLAMMATIONS, THROMBOEMBOLIC DISEASES AND CARDIOVASCULAR DISEASES. BAYER AKTIENGESELLSCHAFT (DE) 1999-02-02 US claimed
US-6124303-A MODULATING APOPTOSIS AND ELIMINATING AND INHIBITING GROWTH OF NEOPLASIAS SUCH AS PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 2000-09-26 US disclosed
US-5866571-A TREATMENT OF INFLAMMATIONS, THROMBOEMBOLIC DISEASES AND CARDIOVASCULAR DISEASES. BAYER AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed
EP-0722943-A1 9-Substituted 2-(2-n-alkoxyphenyl)-purin-6-ones BAYER AG (DE) 1996-07-24 EP disclosed