SCHEMBL8015295

SCHEMBL8015295

[O]CCCCCCN1CCC(O)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.42
GNAI3 P08754 5/20 0.40
GNAO1 P09471 5/20 0.40
GNAI1 P63096 5/20 0.40
KCNA3 P22001 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
MAOB P27338 1/20 0.38
ARG1 P05089 2/20 0.38
ARG2 P78540 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
ACHE P22303 1/20 0.38
KCNH2 Q12809 1/20 0.36
PAOX Q6QHF9 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL8022491 1.00 SPHK1 (0.42) SPHK1GNAI3GNAO1GNAI1KCNA3
SCHEMBL4022189 0.98 KCNA3 (0.41) SPHK1GNAI3GNAO1GNAI1KCNA3
SCHEMBL1099388 0.91 KCNA3 (0.42) SPHK1GNAI3GNAO1GNAI1KCNA3
SCHEMBL1099705 0.82 KCNA3 (0.44) SPHK1KCNA3HRH3ARG1ARG2
SCHEMBL8015299 0.81 SPHK1 (0.44) SPHK1GNAI3GNAO1GNAI1KCNA3
SCHEMBL8022494 0.81 SPHK1 (0.44) SPHK1GNAI3GNAO1GNAI1KCNA3
SCHEMBL4295354 0.79 PDCD1 (0.48) KCNA3HRH3HRH2HRH1
SCHEMBL4295715 0.79 PDCD1 (0.48) KCNA3HRH3HRH2HRH1
SCHEMBL1360021 0.79 PDCD1 (0.48) KCNA3HRH3HRH2HRH1
SCHEMBL8860724 0.79 SPHK1 (0.42) SPHK1GNAI3GNAO1GNAI1KCNA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666265-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2000-01-26 EP disclosed
US-5527786-A ANTIDIABETIC AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-18 US disclosed
EP-0666265-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-08-09 EP disclosed