SCHEMBL7966944

SCHEMBL7966944

CC(C)c1ccc2snc(C3CCNCC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 13/20 0.36
TLR8 Q9NR97 13/20 0.36
TLR7 Q9NYK1 13/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HTR2A P28223 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL7954724 0.79 MKNK1 (0.40) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL7967002 0.77 TLR9 (0.41) TLR9TLR8TLR7HTR2A
SCHEMBL1545124 0.75 KDM4E (0.49) HTR2A
Hydrochloric Acid SCHEMBL1838069 0.74 KDM4E (0.51) HTR2A
SCHEMBL7966309 0.73 MAPK14 (0.40) TLR9TLR8TLR7HTR2A
SCHEMBL7955068 0.70 GRM4 (0.40) TLR9TLR8TLR7HTR2ANPC1
SCHEMBL1545776 0.70 CYP1A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL7971282 0.70 RAB9A (0.64) TLR9TLR8TLR7SLC6A2SLC6A4
SCHEMBL17807754 0.70 NPC1 (0.38) NPC1RAB9A
SCHEMBL2609432 0.70 LMNA (0.38) NPC1RAB9A

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
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed