SCHEMBL9741983

SCHEMBL9741983

CCCc1ccc(-c2ccc(C#Cc3ccc4cc(CCC)ccc4c3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.49
HRH3 Q9Y5N1 10/20 0.48
PLAU P00749 2/20 0.44
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACACB O00763 4/20 0.41
MCL1 Q07820 1/20 0.39

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
SCHEMBL9742625 0.95 ASIC3 (0.53) ASIC3HRH3PLAUACACB
SCHEMBL9742379 0.94 TSHR (0.48) ASIC3HRH3PLAUTSHRHSD17B10
SCHEMBL9742424 0.94 ASIC3 (0.46) ASIC3HRH3PLAUTSHRHSD17B10
SCHEMBL9743155 0.93 TSHR (0.54) ASIC3HRH3PLAUTSHRHSD17B10
SCHEMBL9743138 0.93 TSHR (0.54) ASIC3HRH3PLAUTSHRHSD17B10
SCHEMBL9742306 0.92 ASIC3 (0.45) ASIC3HRH3PLAUTSHRHSD17B10
SCHEMBL9743873 0.91 HSD17B10 (0.56) ASIC3HRH3TSHRHSD17B10
SCHEMBL9745311 0.91 HSD17B10 (0.56) ASIC3HRH3TSHRHSD17B10
SCHEMBL9742431 0.91 HSD17B10 (0.56) ASIC3HRH3TSHRHSD17B10
SCHEMBL9743477 0.90 MCHR1 (0.48) ASIC3HRH3

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