SCHEMBL6974375

SCHEMBL6974375

Cn1cncc1CN1CCc2cc(N)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.45
GRM2 Q14416 1/20 0.41
DHFR P00374 2/20 0.38
DRD3 P35462 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
DRD2 P14416 1/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD4 P21917 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2C P28335 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
SCHEMBL6960871 0.80 ALDH1A1 (0.40) DHFRDRD3ALDH1A1TSHRDRD2
SCHEMBL6963099 0.75 PRMT5 (0.41) DHFRDRD3DRD2DRD4PRMT5
SCHEMBL6972430 0.75 DRD2 (0.53) DHFRDRD3DRD2CA9KMT2A
SCHEMBL6972852 0.73 DRD2 (0.57) TSHRDRD2DRD4HTR2BTMEM97
SCHEMBL1950594 0.73 HRH3 (0.50) DRD3DRD2KDM4EGAAMAPT
SCHEMBL6970695 0.73 DRD4 (0.46) DHFRDRD3ALDH1A1DRD2KDM4E
SCHEMBL6973388 0.72 TMEM97 (0.60) DHFRDRD3DRD2KMT2ACHRM2
SCHEMBL21412686 0.71 DRD2 (0.44) DRD3DRD2HSD17B3
SCHEMBL1953020 0.71 DRD2 (0.46) DRD3DRD2HTR1AHTR2BSIGMAR1
SCHEMBL21412795 0.71 SIGMAR1 (0.59) DRD3DRD2SIGMAR1

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