SCHEMBL6974555

SCHEMBL6974555

Nc1ccc2c(c1)CCN(Cc1ccccc1Sc1ccc(Cl)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.44
SLC6A4 P31645 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C19 P33261 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP2C9 P11712 4/20 0.39
HTR1A P08908 2/20 0.39
HTR3A P46098 2/20 0.39
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL6975713 0.80 ALDH1A1 (0.56) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6965680 0.79 POLB (0.42) CHRNA7MAPTALDH1A1CYP2C19KDM4E
SCHEMBL6962643 0.78 ACACB (0.51) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6965749 0.77 DHFR (0.55) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6964021 0.75 PDE4B (0.52) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL6973388 0.74 TMEM97 (0.60) MEN1KMT2AHTR1ADRD3DRD2
SCHEMBL6976524 0.73 DHFR (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6966204 0.72 TMEM97 (0.55) L3MBTL1MEN1KMT2AHTR1ADRD3
SCHEMBL15610701 0.72 ALDH1A1 (0.59) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6972464 0.72 SIGMAR1 (0.52) MAPTALDH1A1L3MBTL1HPGDKDM4E

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