SCHEMBL6969337

SCHEMBL6969337

Nc1ccc2c(c1)CCN(C(=O)CC1CC3CCC1C3)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ TP53 P04637 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ NR1H2 P55055 1/20 0.41
▸ DPP4 P27487 3/20 0.37
▸ DPP8 Q6V1X1 3/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ ATAD2 Q6PL18 1/20 0.36
▸ HSD17B3 P37058 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35

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
SCHEMBL13498396 0.79 ENPP2 (0.47) ALDH1A1KDM4ENPSR1NR1H2DPP8
SCHEMBL6973736 0.74 ALDH1A1 (0.56) ALDH1A1LMNANPSR1NR1H2DPP4
SCHEMBL6972682 0.73 NR1H2 (0.51) KDM4ENR1H2DPP4DPP8DPP7
SCHEMBL4503991 0.73 HDAC6 (0.59) ALDH1A1KDM4ELMNAHSD17B10NR1H2
SCHEMBL6969736 0.72 NR1H2 (0.47) ALDH1A1KDM4ELMNATP53NPSR1
SCHEMBL6973945 0.72 NR1H2 (0.52) ALDH1A1KDM4ELMNANPSR1HSD17B10
SCHEMBL6973919 0.71 NR1H2 (0.51) ALDH1A1KDM4ELMNANPSR1HSD17B10
SCHEMBL6957857 0.71 NR1H2 (0.57) KDM4ENR1H2DPP4DPP8DPP7
SCHEMBL6960916 0.71 NR1H2 (0.48) KDM4EHSD17B10NR1H2DPP4DPP8
SCHEMBL6961357 0.71 HPGD (0.49) ALDH1A1KDM4ELMNANPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 — — EP disclosed
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