SCHEMBL7709149

SCHEMBL7709149

COc1csc(-c2nc3cc(-c4cccc(NC(C)=O)c4)cc(N)n3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
BRAF P15056 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7705875 0.90 TP53 (0.42) FYNPOLBMAPTTDP1
SCHEMBL7705871 0.84 FYN (0.55) FYNMAPT
SCHEMBL7705877 0.83 SMN1; SMN2 (0.41) MAPT
SCHEMBL7708772 0.82 SMN1; SMN2 (0.38) FYNPOLBMAPT
SCHEMBL7705969 0.82 MAPT (0.52) FYNPOLBMAPT
SCHEMBL7711838 0.80 SMN1; SMN2 (0.50) POLBMAPT
SCHEMBL7708546 0.77 NPC1 (0.42) BRAFMAPT
SCHEMBL7711818 0.77 ALDH1A1 (0.42) POLBMAPT
SCHEMBL7705893 0.77 ADORA2A (0.52) FYNMAPT
SCHEMBL7484739 0.77 ADORA2A (0.52)

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-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed