SCHEMBL6975713

SCHEMBL6975713

Nc1ccc2c(c1)CCN(Cc1ccccc1Cl)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
SIGMAR1 Q99720 3/20 0.56
MAPT P10636 3/20 0.56
DRD3 P35462 2/20 0.56
KCNH2 Q12809 2/20 0.56
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ADRA2A P08913 2/20 0.56
ADRA2B P18089 2/20 0.56
DRD4 P21917 2/20 0.56
HTR2B P41595 2/20 0.56
USP2 O75604 1/20 0.56
ABCB11 O95342 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
ADRB3 P13945 1/20 0.56

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
SCHEMBL15610701 0.86 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2SIGMAR1MAPTDRD3
SCHEMBL6965749 0.85 DHFR (0.55) ALDH1A1SMN1; SMN2SIGMAR1MAPTDRD3
SCHEMBL10754509 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2SIGMAR1MAPTDRD3
SCHEMBL6964021 0.84 PDE4B (0.52) ALDH1A1SMN1; SMN2SIGMAR1TDP1ADRA2A
SCHEMBL6973388 0.83 TMEM97 (0.60) SIGMAR1DRD3KCNH2ADRA2AADRA2B
Hydrochloric Acid SCHEMBL11381615 0.83 KDM4E (0.68) ALDH1A1SMN1; SMN2SIGMAR1MAPTDRD3
SCHEMBL6976524 0.82 DHFR (0.46) ALDH1A1SMN1; SMN2MAPTDRD3LMNA
SCHEMBL27361573 0.81 MEN1 (0.60) ALDH1A1SMN1; SMN2SIGMAR1DRD3KCNH2
SCHEMBL6974555 0.80 CHRNA7 (0.44) ALDH1A1SMN1; SMN2SIGMAR1MAPTDRD3
SCHEMBL15610663 0.80 LMNA (0.58) ALDH1A1SMN1; SMN2SIGMAR1MAPTDRD3

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 6 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
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
CN-1141918-A Amide compounds for medical treatment PFIZER (US) 1997-02-05 CN 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