SCHEMBL7333313

SCHEMBL7333313

CCn1ncc2c(NCC3CCCCC3)c3cc(NC(C)=O)ccc3nc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.49
MAT2A P31153 9/20 0.45
PDE4B Q07343 2/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PDE4D Q08499 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ELANE P08246 1/20 0.39
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7339577 0.86 PDE5A (0.51) PDE5APDE4BPDE4DATM
SCHEMBL7334800 0.86 PDE5A (0.55) PDE5AMAT2APDE4BPDE4DATM
SCHEMBL7331984 0.84 PDE5A (0.49) PDE5AMAT2APDE4BNPC1RAB9A
Hydrochloric Acid SCHEMBL7332007 0.83 PDE5A (0.49) PDE5AMAT2APDE4BNPC1RAB9A
SCHEMBL7338367 0.83 PDE5A (0.54) PDE5APDE4BPDE4DAPP
SCHEMBL8388253 0.82 PDE5A (0.52) PDE5AMAT2APDE4BSMN1; SMN2PDE4D
SCHEMBL7337999 0.81 PDE5A (0.47) PDE5APDE4BPDE4D
SCHEMBL7332872 0.81 PDE5A (0.52) PDE5AMAT2APDE4BPDE4DBCHE
SCHEMBL7330127 0.81 PDE5A (0.50) PDE5APDE4BPDE4DACHE
SCHEMBL7331523 0.80 PDE5A (0.50) PDE5APDE4BPDE4DAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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