SCHEMBL6966893

SCHEMBL6966893

CC(C)(C)c1ccc(CN2CCc3cc(N)ccc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.47
KMT2A Q03164 2/20 0.45
MOGAT2 Q3SYC2 1/20 0.44
ABCB1 P08183 5/20 0.43
ABCC1 P33527 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
NOS1 P29475 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
DRD4 P21917 2/20 0.43
HTR2B P41595 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM3 P20309 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 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
SCHEMBL17565140 0.85 ACACB (0.47) ACACBKMT2AMOGAT2ABCB1ABCC1
SCHEMBL6962643 0.83 ACACB (0.51) ACACBKMT2AABCB1ABCC1ABCG2
SCHEMBL6973388 0.82 TMEM97 (0.60) KMT2ANOS1MEN1DRD4HTR2B
SCHEMBL16724557 0.82 MEN1 (0.58) KMT2ANOS1LMNAMEN1KDM4E
SCHEMBL6968428 0.82 TNF (0.52) KMT2AABCB1ABCC1ABCG2NOS1
SCHEMBL6969261 0.82 TNF (0.52) KMT2AABCB1ABCC1ABCG2NOS1
SCHEMBL6973737 0.82 ACACB (0.56) ACACBLMNA
SCHEMBL6969210 0.82 ABCB1 (0.65) KMT2AABCB1ABCC1ABCG2DRD4
SCHEMBL19798869 0.81 TMEM97 (0.56) ACACBKMT2ANOS1MEN1DRD4
Hydrochloric Acid SCHEMBL16713350 0.81 MEN1 (0.57) KMT2ANOS1LMNAMEN1HTR2B

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-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
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