SCHEMBL28793539

SCHEMBL28793539

CCCCCCCCCCCCNC1CCNCC1

nearest known ligand 0.96

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 10/20 0.96
▸ GNAO1 P09471 10/20 0.96
▸ GNAI1 P63096 10/20 0.96
▸ EPHX1 P07099 1/20 0.58
▸ S1PR4 O95977 2/20 0.46
▸ S1PR1 P21453 2/20 0.46
▸ S1PR3 Q99500 2/20 0.46
▸ S1PR5 Q9H228 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ GBA1 P04062 5/20 0.42
▸ PRCP P42785 1/20 0.42

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
SCHEMBL7319928 1.00 GNAI3 (0.96) GNAI3GNAO1GNAI1EPHX1S1PR4
SCHEMBL19604164 1.00 GNAI3 (0.96) GNAI3GNAO1GNAI1EPHX1S1PR4
SCHEMBL27763474 1.00 GNAI3 (0.96) GNAI3GNAO1GNAI1EPHX1S1PR4
SCHEMBL19604163 1.00 GNAI3 (0.96) GNAI3GNAO1GNAI1EPHX1S1PR4
SCHEMBL30092298 1.00 GNAI3 (0.96) GNAI3GNAO1GNAI1EPHX1S1PR4
SCHEMBL3265058 0.98 GNAI3 (0.92) GNAI3GNAO1GNAI1EPHX1S1PR4
SCHEMBL1070277 0.92 GNAI3 (0.81) GNAI3GNAO1GNAI1EPHX1S1PR4
SCHEMBL19606425 0.89 GNAI3 (0.77) GNAI3GNAO1GNAI1EPHX1S1PR4
SCHEMBL6247785 0.87 GNAI3 (0.73) GNAI3GNAO1GNAI1EPHX1KCNH2
SCHEMBL6097037 0.86 GNAI3 (0.73) GNAI3GNAO1GNAI1EPHX1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102274718-B Reversed-phase bonded phase stuffing with nitrogenous alicyclic structure, preparation method and application thereof UNIV LIAONING 2012-11-14 — — CN disclosed
CN-102274718-A Reversed-phase bonded phase stuffing with nitrogenous alicyclic structure, preparation method and application thereof — 2011-12-14 — — CN disclosed
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