SCHEMBL8637857

SCHEMBL8637857

CCCCCCCCC=CCCCCCCCCN1CCC(O)CC1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.54
GNAO1 P09471 8/20 0.53
GNAI3 P08754 7/20 0.53
GNAI1 P63096 7/20 0.53
GUSB P08236 2/20 0.46
KCNH2 Q12809 2/20 0.43

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
SCHEMBL8637850 1.00 SPHK1 (0.54) SPHK1GNAO1GNAI3GNAI1GUSB
SCHEMBL19603949 0.89 GNAO1 (0.63) SPHK1GNAO1GNAI3GNAI1GUSB
SCHEMBL1891298 0.89 GNAO1 (0.63) SPHK1GNAO1GNAI3GNAI1GUSB
SCHEMBL19275229 0.89 GNAO1 (0.63) SPHK1GNAO1GNAI3GNAI1GUSB
SCHEMBL6222192 0.89 GNAO1 (0.63) SPHK1GNAO1GNAI3GNAI1GUSB
SCHEMBL4250726 0.88 GNAO1 (0.60) SPHK1GNAO1GNAI3GNAI1GUSB
SCHEMBL15212251 0.84 GNAI3 (0.59) GNAO1GNAI3GNAI1
SCHEMBL1698806 0.82 SPHK1 (0.57) SPHK1GNAO1GNAI3GNAI1GUSB
SCHEMBL8639461 0.81 BCHE (0.52) GNAO1GNAI3GNAI1GUSB
SCHEMBL8639464 0.81 BCHE (0.52) GNAO1GNAI3GNAI1GUSB

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