SCHEMBL9820895

SCHEMBL9820895

CCCCCCNC1CCCC[N]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
NAAA Q02083 1/20 0.40
GBA1 P04062 6/20 0.39
EPHX1 P07099 8/20 0.38
EPHX2 P34913 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL8110870 0.95 GNAI3 (0.43) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL9820795 0.93 GNAI3 (0.41) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL4723807 0.93 MEN1 (0.36) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL4721777 0.87 GNAI3 (0.34) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL4723752 0.85 EPHX1 (0.32) EPHX1
SCHEMBL946195 0.80 SIGMAR1 (0.34) GBA1
SCHEMBL4724871 0.79
SCHEMBL947066 0.78 SIGMAR1 (0.31)
SCHEMBL4723708 0.77
SCHEMBL948057 0.73

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
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed