SCHEMBL9742306

SCHEMBL9742306

CCCc1ccc2cc(C#Cc3ccc(-c4ccc(C)cc4)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.45
HRH3 Q9Y5N1 7/20 0.45
FFAR1 O14842 4/20 0.42
PLAU P00749 2/20 0.39
ACACB O00763 3/20 0.36
KCNH2 Q12809 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL9742359 0.95 ASIC3 (0.49) ASIC3HRH3FFAR1PLAUACACB
SCHEMBL9741983 0.92 ASIC3 (0.49) ASIC3HRH3PLAUACACBTSHR
SCHEMBL9743360 0.90 TSHR (0.49) ASIC3HRH3FFAR1TSHRHSD17B10
SCHEMBL9742424 0.89 ASIC3 (0.46) ASIC3HRH3PLAUACACBTSHR
SCHEMBL9742625 0.87 ASIC3 (0.53) ASIC3HRH3FFAR1PLAUACACB
SCHEMBL9742379 0.87 TSHR (0.48) ASIC3HRH3PLAUACACBTSHR
SCHEMBL9743041 0.86 ASIC3 (0.46) ASIC3HRH3FFAR1PLAUACACB
SCHEMBL9742429 0.85 ACACB (0.46) ASIC3HRH3ACACB
SCHEMBL9743477 0.85 MCHR1 (0.48) ASIC3HRH3FFAR1
SCHEMBL9743155 0.85 TSHR (0.54) ASIC3HRH3PLAUTSHRHSD17B10

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