SCHEMBL9743267

SCHEMBL9743267

CCCCCCCCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc4cc(OC)ccc4c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
DRD2 P14416 2/20 0.38
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
SPHK1 Q9NYA1 3/20 0.36
CYP2C9 P11712 1/20 0.35
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
CASR P41180 1/20 0.34
GRM2 Q14416 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL9743813 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3DRD2MAPT
SCHEMBL9743818 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3DRD2MAPT
SCHEMBL9743270 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3DRD2MAPT
SCHEMBL9742814 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3DRD2MAPT
SCHEMBL9742806 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3DRD2MAPT
SCHEMBL9742377 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3DRD2MAPT
SCHEMBL9742382 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3DRD2MAPT
SCHEMBL9744185 0.99 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3DRD2MAPT
SCHEMBL9744172 0.99 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3DRD2MAPT
SCHEMBL9743959 0.95 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3DRD2MAPT

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-5084204-A Naphthylacetylenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-01-28 US disclosed