SCHEMBL7954797

SCHEMBL7954797

CC(C)c1ccc2nc(C3CCNCC3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 11/20 0.44
TLR8 Q9NR97 11/20 0.44
TLR7 Q9NYK1 11/20 0.44
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SOS1 Q07889 1/20 0.37
BRD4 O60885 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL7967300 0.79 TLR9 (0.43) TLR9TLR8TLR7SLC6A2SLC6A4
SCHEMBL30718696 0.78 BACE1 (0.45) TLR9TLR8TLR7SLC6A4MEN1
SCHEMBL27146850 0.78 BACE1 (0.45) TLR9TLR8TLR7SLC6A4MEN1
SCHEMBL7971282 0.75 RAB9A (0.64) TLR9TLR8TLR7SLC6A2SLC6A4
SCHEMBL29733200 0.73 MEN1 (0.57) SLC6A4MEN1KMT2AHRH4NPC1
SCHEMBL21000902 0.73 MEN1 (0.57) SLC6A4MEN1KMT2AHRH4NPC1
SCHEMBL21979975 0.71 TLR8 (0.47) TLR8KCNH2HRH3
Hydrochloric Acid SCHEMBL28388238 0.70 TLR8 (0.47) TLR8KCNH2HRH3
SCHEMBL7955026 0.70 MEN1 (0.42) TLR9TLR8TLR7MEN1KMT2A
SCHEMBL19411398 0.70 BACE1 (0.43) TLR9TLR8TLR7SLC6A4MEN1

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 3 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
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed