SCHEMBL6967124

SCHEMBL6967124

CCCCCCCCCCCCCC(=O)N1CCc2cc(N)ccc2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
SGPL1 O95470 1/20 0.50
S1PR1 P21453 1/20 0.50
NR1H2 P55055 1/20 0.49
GNAI3 P08754 4/20 0.46
GNAI1 P63096 4/20 0.46
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GNAO1 P09471 3/20 0.44
TRPV1 Q8NER1 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL6962036 1.00 HDAC3 (0.52) HDAC3HDAC1HDAC10HDAC11SGPL1
SCHEMBL6967617 1.00 HDAC3 (0.52) HDAC3HDAC1HDAC10HDAC11SGPL1
SCHEMBL6970290 1.00 HDAC3 (0.52) HDAC3HDAC1HDAC10HDAC11SGPL1
SCHEMBL6961235 0.99 SGPL1 (0.51) HDAC3HDAC1HDAC10HDAC11SGPL1
SCHEMBL6973919 0.95 NR1H2 (0.51) HDAC3HDAC1HDAC10HDAC11SGPL1
SCHEMBL6974330 0.93 TRPV1 (0.53) HDAC3HDAC1HDAC10HDAC11SGPL1
SCHEMBL6958120 0.93 TRPV1 (0.53) HDAC3HDAC1HDAC10HDAC11SGPL1
SCHEMBL6973945 0.91 NR1H2 (0.52) HDAC3HDAC1HDAC10HDAC11SGPL1
SCHEMBL6961357 0.84 HPGD (0.49) HDAC3HDAC1HDAC10HDAC11NR1H2
SCHEMBL13097107 0.84 ESR2 (0.56) HDAC3HDAC1HDAC10HDAC11SGPL1

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 3 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-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