SCHEMBL8639461

SCHEMBL8639461

CCCCCCCC/C=C\CCCCCCCCN1CCCC(O)C1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.52
GUSB P08236 2/20 0.45
HTR1A P08908 1/20 0.43
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41

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
SCHEMBL8639464 1.00 BCHE (0.52) BCHEGUSBHTR1AGNAI3GNAO1
SCHEMBL27554647 0.91 BCHE (0.60) BCHEGUSBHTR1AGNAI3GNAO1
Methane SCHEMBL6602166 0.89 BCHE (0.59) BCHEGUSBHTR1AGNAI3GNAO1
Methane SCHEMBL7056640 0.89 BCHE (0.59) BCHEGUSBHTR1AGNAI3GNAO1
SCHEMBL14638881 0.89 BCHE (0.58) BCHEGUSBHTR1AGNAI3GNAO1
SCHEMBL8298490 0.89 BCHE (0.58) BCHEGUSBHTR1AGNAI3GNAO1
SCHEMBL30964727 0.84 BCHE (0.43) BCHEHTR1A
SCHEMBL24114600 0.84 BCHE (0.51) BCHEGUSBHTR1A
SCHEMBL12157375 0.84 BCHE (0.51) BCHEGUSBHTR1A
SCHEMBL6627539 0.84 BCHE (0.51) BCHEGUSBHTR1A

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
EP-0650474-B1 NOVEL PIPERIDYL AMIDES, SULFONAMIDES AND SULFOXAMIDES AS INHIBITORS OF CHOLESTEROL BIOSYNTHESIS MERRELL PHARMA INC (US) 1998-08-12 EP claimed