SCHEMBL7419562

SCHEMBL7419562

CN1CCN2[C@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc3c(c2)CCO3)C1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.55
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL7359519 0.86 PDE5A (0.60) PDE5A
SCHEMBL14599798 0.81 PDE5A (0.62) PDE5AMEN1MAPTKMT2AL3MBTL1
SCHEMBL7685541 0.80 MEN1 (0.51) PDE5AMEN1MAPTKMT2A
SCHEMBL7685549 0.80 MEN1 (0.51) PDE5AMEN1MAPTKMT2A
SCHEMBL7360231 0.77 ABCG2 (0.51) PDE5A
SCHEMBL1921236 0.76 PDE5A (0.77) PDE5AMEN1KMT2A
SCHEMBL1326406 0.76 PDE5A (0.77) PDE5AMEN1KMT2A
SCHEMBL1326404 0.76 PDE5A (0.77) PDE5AMEN1KMT2A
SCHEMBL7441972 0.76 PDE5A (0.77) PDE5AMEN1KMT2A
SCHEMBL12194947 0.74 PDE5A (0.65) PDE5AMEN1MAPTKMT2AL3MBTL1

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
EP-0740668-A1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE LABORATORIES GLAXO WELLCOME S.A. (FR) 1996-11-06 EP claimed
WO-1995019978-A1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE LABORATOIRES GLAXO WELLCOME S.A. (FR) 1995-07-27 WO claimed
WO-1999059584-A1 COMBINATION OF PHENTOLAMINE AND CYCLIC GMP PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION SCHERING CORPORATION (US) 1999-11-25 WO disclosed