SCHEMBL6961235

SCHEMBL6961235

CCCCCC(=O)N1CCc2cc(N)ccc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 1/20 0.51
S1PR1 P21453 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
NR1H2 P55055 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAI1 P63096 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6967124 0.99 HDAC3 (0.52) SGPL1S1PR1HDAC3HDAC1HDAC10
SCHEMBL6962036 0.99 HDAC3 (0.52) SGPL1S1PR1HDAC3HDAC1HDAC10
SCHEMBL6970290 0.99 HDAC3 (0.52) SGPL1S1PR1HDAC3HDAC1HDAC10
SCHEMBL6967617 0.99 HDAC3 (0.52) SGPL1S1PR1HDAC3HDAC1HDAC10
SCHEMBL6973919 0.96 NR1H2 (0.51) SGPL1S1PR1HDAC3HDAC1HDAC10
SCHEMBL6973945 0.92 NR1H2 (0.52) SGPL1S1PR1HDAC3HDAC1HDAC10
SCHEMBL6958120 0.92 TRPV1 (0.53) SGPL1S1PR1HDAC3HDAC1HDAC10
SCHEMBL6974330 0.92 TRPV1 (0.53) SGPL1S1PR1HDAC3HDAC1HDAC10
SCHEMBL6961357 0.85 HPGD (0.49) HDAC3HDAC1HDAC10HDAC11NR1H2
SCHEMBL13097107 0.85 ESR2 (0.56) SGPL1S1PR1HDAC3HDAC1HDAC10

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 5 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
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 US disclosed
EP-0832069-A1 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 INC. (US) 1998-04-01 EP disclosed
WO-1996040640-A1 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 INC. (US) 1996-12-19 WO disclosed