SCHEMBL5388076

SCHEMBL5388076

O=C1CSc2ccccc2[N]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 4/20 0.33
COMT P21964 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.32
MIF P14174 1/20 0.32
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
TRPA1 O75762 1/20 0.31
HSD17B3 P37058 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3030074 0.71 OPRK1 (0.46) OPRK1ALDH1A1NPC1RAB9AMEN1
SCHEMBL29070050 0.68 TRPA1 (0.44) ALDH1A1COMTNPC1RAB9AMEN1
SCHEMBL334804 0.67 TRPA1 (0.42) ALDH1A1MEN1KMT2APOLBACHE
SCHEMBL12046104 0.67 OPRK1 (0.39) OPRK1ALDH1A1NPC1RAB9AMEN1
SCHEMBL28847701 0.66 OPRK1 (0.39) OPRK1ALDH1A1NPC1RAB9AMEN1
SCHEMBL30122813 0.66 OPRK1 (0.45) OPRK1ALDH1A1NPC1RAB9AMEN1
SCHEMBL2524058 0.65 OPRK1 (0.58) OPRK1ALDH1A1NPC1RAB9AMEN1
SCHEMBL24828 0.64 TRPA1 (0.54) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL17968071 0.64 MAPT (0.50) OPRK1ALDH1A1NPC1RAB9AMEN1
SCHEMBL7458656 0.63 OPRK1 (0.37) OPRK1ALDH1A1NPC1RAB9AMEN1

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
US-7235549-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-06-26 US claimed