SCHEMBL9820874

SCHEMBL9820874

CCCCCCNC1CC[N]C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.51
GNAO1 P09471 2/20 0.51
GNAI1 P63096 2/20 0.51
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR4 O95977 2/20 0.44
S1PR5 Q9H228 1/20 0.42
GBA1 P04062 6/20 0.40
FUCA1 P04066 6/20 0.37
EPHX1 P07099 2/20 0.37

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
SCHEMBL7506740 0.98 GNAI3 (0.49) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL8111938 0.89 GNAI3 (0.59) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL8117181 0.87 GNAI3 (0.46) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL9432411 0.86 GNAI3 (0.56) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL3199228 0.84
SCHEMBL7966483 0.80 GNAI3 (0.48) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL2097596 0.79 SQLE (0.36) GNAI3GNAO1GNAI1GBA1
SCHEMBL2094212 0.79 EPHX1 (0.34) GNAI3GNAO1GNAI1EPHX1
SCHEMBL24210534 0.78 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL20746945 0.78 GNAI3 (0.70) GNAI3GNAO1GNAI1S1PR1S1PR3

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