SCHEMBL8165166

SCHEMBL8165166

NC(=O)c1ccc(OC(F)(F)F)cc1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.46
GRIN2B Q13224 1/20 0.44
MAPK14 Q16539 1/20 0.44
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
PLA2G5 P39877 1/20 0.43
EPHX1 P07099 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
KMT2A Q03164 1/20 0.42
PIM1 P11309 1/20 0.42
FFAR1 O14842 2/20 0.42
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN9 P43378 1/20 0.41

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
SCHEMBL3577616 0.83 DAO (0.48) MAPK14PLA2G10PLA2G2APLA2G5EPHX1
SCHEMBL10968313 0.77 MAPK14 (0.46) GRIN2BMAPK14TRPM8MRGPRX4PIM1
SCHEMBL1695580 0.76 SIRT2 (0.48) PLA2G10PLA2G2APLA2G5KMT2AFFAR1
SCHEMBL7071749 0.76 CHEK1 (0.41) EPHX1MRGPRX4KMT2APIM1EPHX2
SCHEMBL4517767 0.75 BCAT2 (0.51) PLA2G10PLA2G2APIM1FFAR1FFAR4
SCHEMBL6518415 0.75 CHEK1 (0.49) EPHX1KMT2APIM1EPHX2MAPK8
SCHEMBL15676699 0.75 RAB9A (0.48) KMT2ASIRT2
Trifluoroacetic Acid SCHEMBL15568420 0.75 ALDH1A1 (0.51) KMT2AFFAR1SIRT2
SCHEMBL1690120 0.74 RAB9A (0.46) EPHX1KMT2ASIRT2
SCHEMBL14039560 0.74 NPC1 (0.40) KMT2ASIRT2

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-0973778-A1 4,5,6,7-TETRAHYDRO-THIENO 3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-01-26 EP disclosed
WO-1998040385-A1 4,5,6,7-TETRAHYDRO-THIENO[3,2-c]PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1998-09-17 WO disclosed