SCHEMBL6974259

SCHEMBL6974259

Cc1nn(-c2ccccc2)c(C)c1CN1CCc2c[c]ccc2C1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
OPRM1 P35372 1/20 0.41
P2RX7 Q99572 8/20 0.41
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
SMO Q99835 1/20 0.38
RECQL P46063 1/20 0.36
NTRK1 P04629 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL6966047 0.79 ESR1 (0.37) MEN1KMT2A
SCHEMBL6976027 0.79 MCHR1 (0.39) NPC1RAB9AMEN1KMT2ARECQL
SCHEMBL6975949 0.76 MAPT (0.45) TSHRMEN1KMT2A
SCHEMBL6966740 0.76 HDAC1 (0.39) MEN1KMT2A
SCHEMBL6970691 0.75 KDM4E (0.32) RECQL
SCHEMBL6967680 0.75 KMT2A (0.38) MEN1KMT2APRMT5WDR77
SCHEMBL6957978 0.75 SIRT1 (0.41) OPRM1KMT2A
SCHEMBL6965484 0.74 FAAH (0.39) OPRM1
SCHEMBL6974425 0.74 GBA1 (0.39) MEN1KMT2APRMT5WDR77RECQL
SCHEMBL6975708 0.74 LMNA (0.40)

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 3 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
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