SCHEMBL6976031

SCHEMBL6976031

Cc1cc(CN2CCc3cc(N)ccc3C2)c(C)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
DRD4 P21917 2/20 0.41
HTR2B P41595 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HRH1 P35367 1/20 0.41
MCHR1 Q99705 1/20 0.40
DHFR P00374 1/20 0.40
MOGAT2 Q3SYC2 2/20 0.40
KDM4E B2RXH2 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM3 P20309 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 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
SCHEMBL7628963 0.82 POLB (0.41) POLBDRD4HTR2BTMEM97SIGMAR1
SCHEMBL6973388 0.76 TMEM97 (0.60) DRD4HTR2BTMEM97SIGMAR1ADRA2A
SCHEMBL6974262 0.76 PRMT5 (0.52) DRD4HTR2BTMEM97SIGMAR1ADRA2A
SCHEMBL6975713 0.74 ALDH1A1 (0.56) POLBDRD4HTR2BTMEM97SIGMAR1
SCHEMBL6964021 0.74 PDE4B (0.52) POLBDRD4HTR2BTMEM97SIGMAR1
SCHEMBL6974752 0.74 ALDH1A1 (0.50) POLBDRD4HTR2BTMEM97SIGMAR1
SCHEMBL6974145 0.73 ALDH1A1 (0.43) POLBDRD4HTR2BTMEM97SIGMAR1
SCHEMBL6976524 0.72 DHFR (0.46) POLBDRD4DHFRKDM4EDRD3
SCHEMBL6970695 0.72 DRD4 (0.46) DRD4HTR2BTMEM97SIGMAR1ADRA2A
SCHEMBL6966743 0.72 TMEM97 (0.58) DRD4HTR2BTMEM97SIGMAR1ADRA2A

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 2 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
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