SCHEMBL6972852

SCHEMBL6972852

Nc1ccc2c(c1)CCN(Cc1cccnc1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.57
KCNH2 Q12809 1/20 0.57
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PRMT5 O14744 2/20 0.50
WDR77 Q9BQA1 2/20 0.50
PTGER2 P43116 1/20 0.46
CYP17A1 P05093 2/20 0.46
CYP3A4 P08684 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
DRD4 P21917 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL6972430 0.84 DRD2 (0.53) DRD2PRMT5WDR77CYP19A1CYP11B1
SCHEMBL6973388 0.84 TMEM97 (0.60) DRD2KCNH2ADRA2AADRA2BDRD4
SCHEMBL6970695 0.80 DRD4 (0.46) DRD2KCNH2LMNASMN1; SMN2USP2
SCHEMBL12005097 0.78 CHRNB2 (0.44) DRD2KCNH2CHRNB2CHRNA4PTGER2
SCHEMBL8900524 0.78 PNMT (0.54) DRD2KCNH2ADRA2AADRA2BDRD4
SCHEMBL6974431 0.78 DRD4 (0.48) PRMT5WDR77ADRA2AADRA2BDRD4
SCHEMBL6972571 0.78 DRD2 (0.55) DRD2KCNH2SMN1; SMN2ADRA2AADRA2B
SCHEMBL6965841 0.78 CA9 (0.50) ADRA2AADRA2BDRD4HRH1HTR2B
SCHEMBL6972464 0.78 SIGMAR1 (0.52) DRD2KCNH2ADRA2AADRA2BDRD4
SCHEMBL6962643 0.77 ACACB (0.51) LMNAADRA2AADRA2BDRD4HRH1

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 5 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
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 US 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