SCHEMBL28844225

SCHEMBL28844225

CC1(C)CNCC(C)(C)N1.CCCCNC1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 9/20 0.63
▸ GNAO1 P09471 9/20 0.63
▸ GNAI1 P63096 9/20 0.63
▸ EPHX1 P07099 1/20 0.40
▸ KCNH2 Q12809 1/20 0.37
▸ SOS1 Q07889 1/20 0.36
▸ S1PR4 O95977 2/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ S1PR3 Q99500 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ RAD52 P43351 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ GAS6 Q14393 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.30

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
SCHEMBL1070277 0.86 GNAI3 (0.81) GNAI3GNAO1GNAI1EPHX1KCNH2
SCHEMBL3265058 0.81 GNAI3 (0.92) GNAI3GNAO1GNAI1EPHX1KCNH2
SCHEMBL7319928 0.79 GNAI3 (0.96) GNAI3GNAO1GNAI1EPHX1KCNH2
SCHEMBL30092298 0.79 GNAI3 (0.96) GNAI3GNAO1GNAI1EPHX1KCNH2
SCHEMBL28793539 0.79 GNAI3 (0.96) GNAI3GNAO1GNAI1EPHX1KCNH2
SCHEMBL19604164 0.79 GNAI3 (0.96) GNAI3GNAO1GNAI1EPHX1KCNH2
SCHEMBL19604163 0.79 GNAI3 (0.96) GNAI3GNAO1GNAI1EPHX1KCNH2
SCHEMBL27763474 0.79 GNAI3 (0.96) GNAI3GNAO1GNAI1EPHX1KCNH2
SCHEMBL39399 0.75 SLC2A1 (0.44) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL4635166 0.75 GNAI3 (0.65) GNAI3GNAO1GNAI1EPHX1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104903379-B Epoxy resin, epoxy resin composition and cured meterial 日本化药株式会社 2017-04-12 — — CN disclosed
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