SCHEMBL9747199

SCHEMBL9747199

CCCCCCC1CCC(c2ccc(C#Cc3ccc4cc(OCC)ccc4c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.38
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 2/20 0.36
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SPHK1 Q9NYA1 2/20 0.35
CYP2C9 P11712 2/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
S1PR3 Q99500 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL9743341 1.00 ACACB (0.38) ACACBSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL9744504 1.00 ACACB (0.38) ACACBSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL9744898 1.00 ACACB (0.38) ACACBSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL9743332 1.00 ACACB (0.38) ACACBSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL9744494 1.00 ACACB (0.38) ACACBSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL9747187 1.00 ACACB (0.38) ACACBSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL9744888 1.00 ACACB (0.38) ACACBSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL9742554 0.99 ACACB (0.38) ACACBSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL9742550 0.99 ACACB (0.38) ACACBSLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL9742489 0.96 ACACB (0.39) ACACBSLC6A2SLC6A4SLC6A3RAB9A

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