SCHEMBL6969330

SCHEMBL6969330

NC(=O)C1c2cc[c]cc2CCN1C(=O)CC1CC2CCC1C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 6/20 0.32
HPGD P15428 1/20 0.32
CYP2D6 P10635 3/20 0.32
CHRM3 P20309 1/20 0.32
HTR1A P08908 2/20 0.32
ACE P12821 1/20 0.32

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
SCHEMBL6972676 0.78 ACE (0.36) ALDH1A1CYP2D6ACE
SCHEMBL6973366 0.76 ACE (0.41) KDM4ETP53ACE
SCHEMBL6973729 0.76 ALDH1A1 (0.40) LMNAKDM4EALDH1A1ACE
SCHEMBL6957854 0.76 GHSR (0.38) KDM4ECYP2D6ACE
SCHEMBL6960911 0.76 ACE (0.36) ACE
SCHEMBL6969731 0.75 KCNH2 (0.39) LMNAKDM4EALDH1A1TP53KCNH2
SCHEMBL4503987 0.75 F11 (0.40) KDM4EALDH1A1NPSR1HSD17B10HPGD
SCHEMBL6973580 0.75 ACE (0.35) CYP2D6ACE
SCHEMBL6973916 0.75 TP53 (0.41) TP53ACE
SCHEMBL6961352 0.75 ACE (0.40) LMNAKDM4EALDH1A1TP53NPSR1

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 1 patent. 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