SCHEMBL9030804

SCHEMBL9030804

COC(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.61
SLC6A4 P31645 3/20 0.61
ACHE P22303 1/20 0.55
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
CASP3 P42574 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
SLC6A2 P23975 1/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
AGTR1 P30556 1/20 0.50
AGTR2 P50052 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48

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
SCHEMBL1257997 0.86 ACHE (0.57) SLC6A3SLC6A4ACHEHDAC1HDAC7
SCHEMBL14597968 0.83 HDAC1 (0.67) HDAC1HDAC7CASP3KMT2AMEN1
SCHEMBL3664093 0.83 TSHR (0.55) ACHEAGTR1AGTR2
SCHEMBL1206178 0.82 KMT2A (0.58) HDAC1HDAC7CASP3HDAC4HDAC8
SCHEMBL8539999 0.81 SLC6A3 (0.69) SLC6A3SLC6A4ACHESLC6A2AGTR1
SCHEMBL14326964 0.81 SLC6A3 (0.69) SLC6A3SLC6A4ACHESLC6A2AGTR1
SCHEMBL3112718 0.81 SLC6A3 (0.69) SLC6A3SLC6A4SLC6A2KMT2AAGTR1
SCHEMBL29979869 0.81 SLC6A3 (0.69) SLC6A3SLC6A4ACHESLC6A2AGTR1
SCHEMBL2642187 0.80 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2AGTR1AGTR2
SCHEMBL6478795 0.80 MAPK1 (0.58) HDAC1HDAC7CASP3HDAC4HDAC8

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
EP-0542554-B1 Substituted N-biphenylyl lactams ORTHO PHARMA CORP (US) 1996-01-31 EP disclosed
US-5246940-A Angoitensin II receptor antagonist for hypertension, stroke or diabetes ORTHO PHARMACEUTICAL CORPORATION (US) 1993-09-21 US disclosed
EP-0542554-A1 Substituted N-biphenylyl lactams ORTHO PHARMACEUTICAL CORPORATION (US) 1993-05-19 EP disclosed
US-5182288-A Angiotensin II receptor antagonists ORTHO PHARMACEUTICAL CORPORATION (US) 1993-01-26 US disclosed