SCHEMBL9820795

SCHEMBL9820795

CCCCCNC1CCC[N]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
GBA1 P04062 6/20 0.37
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 3/20 0.36
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 1/20 0.36
NAAA Q02083 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
FUCA1 P04066 5/20 0.34
EPHX1 P07099 2/20 0.34

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 0.98 GNAI3 (0.43) GNAI3GNAO1GNAI1GBA1S1PR1
SCHEMBL4721777 0.94 GNAI3 (0.34) GNAI3GNAO1GNAI1GBA1S1PR1
SCHEMBL9820895 0.93 GNAI3 (0.42) GNAI3GNAO1GNAI1GBA1S1PR1
SCHEMBL4723807 0.89 MEN1 (0.36) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL4724871 0.86
SCHEMBL4723752 0.80 EPHX1 (0.32) ALDH1A1EPHX1
SCHEMBL946195 0.76 SIGMAR1 (0.34) GBA1TSHR
SCHEMBL947066 0.73 SIGMAR1 (0.31)
SCHEMBL7509499 0.72 GNAI3 (0.47) GNAI3GNAO1GNAI1GBA1FUCA1
SCHEMBL4723708 0.71

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