SCHEMBL6960871

SCHEMBL6960871

Cn1cccc1CN1CCc2cc(N)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 3/20 0.38
DRD4 P21917 2/20 0.38
HTR2B P41595 2/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
DRD3 P35462 2/20 0.38
MEN1 O00255 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM3 P20309 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSD17B3 P37058 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6974375 0.80 MLNR (0.45) ALDH1A1TSHRKDM4EKMT2ADRD4
SCHEMBL6963099 0.77 PRMT5 (0.41) DRD4DRD3DRD2DHFR
SCHEMBL6973388 0.76 TMEM97 (0.60) KMT2ADRD4HTR2BTMEM97SIGMAR1
SCHEMBL1950594 0.75 HRH3 (0.50) KDM4EDRD3HSD17B3MAPTDRD2
SCHEMBL6970695 0.75 DRD4 (0.46) ALDH1A1KDM4EDRD4HTR2BTMEM97
SCHEMBL6970868 0.74 ALDH1A1 (0.76) ALDH1A1TSHRKMT2ADRD4DRD3
SCHEMBL6974431 0.74 DRD4 (0.48) ALDH1A1KDM4EDRD4HTR2BTMEM97
SCHEMBL1953020 0.73 DRD2 (0.46) HTR2BSIGMAR1DRD3HTR1AHSD17B3
SCHEMBL21412795 0.73 SIGMAR1 (0.59) SIGMAR1DRD3DRD2
SCHEMBL23350458 0.72 DRD2 (0.43) ALDH1A1KDM4ESIGMAR1DRD3HSD17B3

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 claimed
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 claimed
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