SCHEMBL7423296

SCHEMBL7423296

CN1CCN2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Br)s2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.58
PDE11A Q9HCR9 5/20 0.58
PDE6C P51160 3/20 0.58
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL7421542 1.00 PDE5A (0.58) PDE5APDE11APDE6CHDAC3HDAC4
SCHEMBL7423292 1.00 PDE5A (0.58) PDE5APDE11APDE6CHDAC3HDAC4
SCHEMBL7685541 0.76 MEN1 (0.51) PDE5AHDAC3HDAC4HDAC1HDAC7
SCHEMBL7685549 0.76 MEN1 (0.51) PDE5AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1326255 0.73 PDE5A (1.00) PDE5APDE11APDE6C
SCHEMBL1327414 0.73 PDE5A (1.00) PDE5APDE11APDE6C
SCHEMBL7359519 0.73 PDE5A (0.60) PDE5APDE11APDE6C
SCHEMBL1327412 0.73 PDE5A (1.00) PDE5APDE11APDE6C
SCHEMBL7360231 0.72 ABCG2 (0.51) PDE5APDE11AHDAC3HDAC4HDAC1
SCHEMBL30835825 0.71 PDE5A (0.55) PDE5APDE11APDE6C

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
EP-0740668-A1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE LABORATORIES GLAXO WELLCOME S.A. (FR) 1996-11-06 EP disclosed
WO-1995019978-A1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE LABORATOIRES GLAXO WELLCOME S.A. (FR) 1995-07-27 WO disclosed