SCHEMBL6971502

SCHEMBL6971502

Cc1ccsc1CN1CCc2cc(N)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 6/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 3/20 0.38
CA9 Q16790 2/20 0.36
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM3 P20309 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
SCHEMBL6968178 0.77 DHFR (0.41) MAPTPOLBCYP2C19ALDH1A1KDM4E
SCHEMBL6973623 0.76 ALDH1A1 (0.63) ALDH1A1KDM4EALOX15TSHRCASP1
SCHEMBL6961210 0.75 KDM4E (0.40) MAPTPOLBALDH1A1KDM4ETSHR
SCHEMBL1950594 0.74 HRH3 (0.50) MAPTKDM4EDRD3
SCHEMBL6968096 0.74 CA9 (0.43) LMNAMAPTALDH1A1KDM4EALOX15
SCHEMBL6967685 0.73 PRMT5 (0.47) MAPTALDH1A1KDM4ETSHRHPGD
SCHEMBL6974431 0.73 DRD4 (0.48) MAPTALDH1A1KDM4ECA9HTT
SCHEMBL6969261 0.73 TNF (0.52) LMNAMAPTALDH1A1KDM4EHTT
SCHEMBL6973388 0.72 TMEM97 (0.60) KMT2ACHRM2HTR1ACHRM3DRD4
SCHEMBL6962643 0.71 ACACB (0.51) LMNAMAPTALDH1A1KDM4ECA9

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