SCHEMBL6970464

SCHEMBL6970464

Nc1ccc2c(c1)CCN(C(=O)C(CO)c1ccccc1)C2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ HCRTR2 O43614 2/20 0.52
▸ HDAC8 Q9BY41 3/20 0.47
▸ NR1H2 P55055 1/20 0.44
▸ ACE P12821 2/20 0.44
▸ DPP8 Q6V1X1 3/20 0.43
▸ DPP7 Q9UHL4 1/20 0.43
▸ HSD17B3 P37058 1/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ TMPRSS2 O15393 2/20 0.41
▸ HCRTR1 O43613 1/20 0.40

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
SCHEMBL6961381 0.89 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRHSD17B10HCRTR2
SCHEMBL6962531 0.78 NR1H2 (0.54) HDAC8NR1H2ACEDPP8DPP7
SCHEMBL6974445 0.77 NR1H2 (0.51) ALDH1A1KDM4ETSHRHSD17B10HDAC8
SCHEMBL381428 0.77 NR1H2 (0.56) HDAC8NR1H2HSD17B3KMT2ATMPRSS2
SCHEMBL6972828 0.77 HPGD (0.56) ALDH1A1NR1H2KMT2ATMPRSS2
SCHEMBL6974571 0.76 NR1H2 (0.52) HDAC8NR1H2ACEDPP8DPP7
SCHEMBL6961304 0.74 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRHSD17B10KMT2A
SCHEMBL27041869 0.73 TMEM97 (0.67) NR1H2
SCHEMBL6965291 0.73 NPC1 (0.57) ALDH1A1KDM4ETSHRHSD17B10NR1H2
SCHEMBL3858227 0.73 NOTUM (0.63) HDAC8NR1H2HSD17B3KMT2ATMPRSS2

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-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
EP-1181954-A2 Biphenyl-2-carboxylic acid-tetrahydro-isoquinolin-6-yl amide derivatives, their preparation and use as inhibitors of microsomal triglyceride transfer protein and/or apolipoprotein B (ApoB) secretion PFIZER INC. (US) 2002-02-27 — — EP disclosed
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