SCHEMBL6975684

SCHEMBL6975684

NC(=O)C1c2cc[c]cc2CCN1C(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.44
CNR2 P34972 8/20 0.42
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GRM1 Q13255 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL6973729 0.84 ALDH1A1 (0.40) HSD11B1ALDH1A1TSHRKDM4ELMNA
SCHEMBL3873900 0.79 SIRT1 (0.40) TSHRSMN1; SMN2
SCHEMBL6974045 0.79 KCNH2 (0.32) GRM1
SCHEMBL4503987 0.77 F11 (0.40) ALDH1A1TSHRKDM4ESMN1; SMN2NPSR1
SCHEMBL6962545 0.76 MEN1 (0.41) LMNA
SCHEMBL6962527 0.76 ACE (0.40)
SCHEMBL6973111 0.76 MEN1 (0.43) HSD11B1CNR2ALDH1A1TSHRLMNA
SCHEMBL6960911 0.76 ACE (0.36)
SCHEMBL6967292 0.75 KEAP1 (0.38) ALDH1A1TSHRHTTLMNASMN1; SMN2
SCHEMBL6972820 0.75 MEN1 (0.41) HSD11B1ALDH1A1

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
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