SCHEMBL11519752

SCHEMBL11519752

[Li]C1CCCc2ccc(-c3ccccc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH2 P25021 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
WDR5 P61964 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPY5R Q15761 2/20 0.33
NPC1 O15118 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
ADORA1 P30542 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
IDO1 P14902 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL10287024 0.81 ACHE (0.43) RAB9AMEN1KMT2AHRH2HRH3
SCHEMBL3311297 0.81 IRAK4 (0.46) RAB9AMEN1KMT2AHRH2HRH3
SCHEMBL14884989 0.81 ACHE (0.43) RAB9AMEN1KMT2AHRH2HRH3
SCHEMBL3311055 0.81 ACHE (0.43) RAB9AMEN1KMT2AHRH2HRH3
SCHEMBL3312854 0.80 IGF1R (0.43) RAB9AMEN1KMT2AHRH2HRH3
SCHEMBL10286368 0.77 RAB9A (0.40) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL31598496 0.77 RAB9A (0.40) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL11008535 0.77 MAP2K3 (0.36) RAB9AMEN1KMT2AHRH2HRH3
Hydrochloric Acid SCHEMBL11519661 0.77 ADORA1 (0.37) MEN1KMT2AALDH1A1ADORA1ADORA3
SCHEMBL28524204 0.74 MEN1 (0.44) RAB9AMEN1KMT2AALDH1A1ASIC3

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-4160094-A Tetrahydroquinoline derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-07-03 US disclosed