SCHEMBL6967685

SCHEMBL6967685

Cc1cccc(CN2CCc3cc(N)ccc3C2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
DHFR P00374 1/20 0.40
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
CHRM1 P11229 2/20 0.39
GRIN1 Q05586 2/20 0.39

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
SCHEMBL6969659 0.85 DHFR (0.40) DHFRADRA1DADRA1AADRA1BCHRM2
SCHEMBL27525446 0.82 KMT2A (0.51) PRMT5WDR77HTR1ADRD3HTR2B
SCHEMBL6975482 0.82 ALDH1A1 (0.39) PRMT5WDR77DHFRADRA1DADRA1A
SCHEMBL6957984 0.80 DRD2 (0.56) PRMT5WDR77DHFRADRA1DADRA1A
SCHEMBL6965488 0.79 MEN1 (0.45) DHFRDRD4DRD3ALDH1A1KDM4E
SCHEMBL6974431 0.77 DRD4 (0.48) PRMT5WDR77ADRA1DADRA1AADRA1B
SCHEMBL6970695 0.76 DRD4 (0.46) DHFRADRA1DADRA1AADRA1BCHRM2
SCHEMBL6973388 0.74 TMEM97 (0.60) DHFRADRA1DADRA1AADRA1BCHRM2
SCHEMBL6976524 0.73 DHFR (0.46) DHFRDRD4DRD3ALDH1A1KDM4E
SCHEMBL6967728 0.73 CD44 (0.39) DHFRDRD4DRD3HTR2BTMEM97

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
CN-1058709-C Amide compounds for medical treatment PFIZER (US) 2000-11-22 CN disclosed
CN-1141918-A Amide compounds for medical treatment PFIZER (US) 1997-02-05 CN disclosed