SCHEMBL7330127

SCHEMBL7330127

CCn1ncc2c(NCC3CCCCC3)c3cc([N+](=O)[O-])ccc3nc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.50
CNR2 P34972 1/20 0.40
PDE4B Q07343 2/20 0.40
ACHE P22303 2/20 0.39
VCP P55072 2/20 0.39
PDE4D Q08499 2/20 0.37
RIPK1 Q13546 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RHOA P61586 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL7337348 0.93 PDE5A (0.44) PDE5ACNR2PDE4BACHEPDE4D
SCHEMBL7333745 0.90 PDE5A (0.42) PDE5ACNR2PDE4BACHEVCP
SCHEMBL7334800 0.84 PDE5A (0.55) PDE5APDE4BPDE4DMEN1KMT2A
SCHEMBL7335465 0.84 PDE5A (0.69) PDE5APDE4BACHEPDE4DRIPK1
SCHEMBL7338367 0.84 PDE5A (0.54) PDE5APDE4BPDE4DMEN1KMT2A
SCHEMBL7339577 0.83 PDE5A (0.51) PDE5APDE4BPDE4D
SCHEMBL7331699 0.82 PDE5A (0.51) PDE5APDE4BPDE4DMEN1KMT2A
Hydrochloric Acid SCHEMBL7333781 0.82 PDE5A (0.56) PDE5APDE4BACHEPDE4DRIPK1
SCHEMBL7337991 0.82 PDE5A (0.46) PDE5APDE4BACHEPDE4DRIPK1
SCHEMBL7332872 0.82 PDE5A (0.52) PDE5APDE4BACHEPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488055-A ADMINISTERING GMP HOSPHODIESTERASE INHIBITORS FOR TREATMENT OF CONGESTIVE HEART FAILURE AND CARDIOVASCULAR DISORDERS SANOFI WINTHROP INC. (US) 1996-01-30 US claimed
US-5942520-A Method for inhibiting neoplastic cells by exposure to substituted N-cycloalkylmethyl-1-H-pyrazolo (3,4-B) quinolone-4 amines CELL PATHWAYS, INC. (US) 1999-08-24 US disclosed
US-5488055-A ADMINISTERING GMP HOSPHODIESTERASE INHIBITORS FOR TREATMENT OF CONGESTIVE HEART FAILURE AND CARDIOVASCULAR DISORDERS SANOFI WINTHROP INC. (US) 1996-01-30 US disclosed