SCHEMBL19088936

SCHEMBL19088936

C=Cc1cccc(CN2CC(C)N(Cc3cccc(C=C)c3)CC2C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ OPRD1 P41143 1/20 0.37
▸ MAPK14 Q16539 2/20 0.36
▸ HRH2 P25021 1/20 0.34
▸ MGAM O43451 1/20 0.33

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
SCHEMBL30956296 0.81 MAPT (0.51) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL11855385 0.78 MAPT (0.42) MAPTTP53PDK1PDK2PDK3
SCHEMBL14300982 0.76 ACHE (0.59) FAAH
SCHEMBL19066596 0.75 FAAH (0.63) FAAHTDP1SIGMAR1
SCHEMBL611760 0.75 FAAH (0.63) FAAHTDP1SIGMAR1
SCHEMBL15783 0.74 TP53 (0.54) FAAHMAPTTP53TDP1
SCHEMBL6742277 0.74 MAPT (0.66) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL6742274 0.74 MAPT (0.66) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL6927881 0.73 OPRD1 (0.61) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL19088938 0.72 FAAH (0.50) FAAHTP53TDP1SIGMAR1

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
WO-2017116272-A1 METHOD FOR PREPARING TERTIARY AMINES COMPRISING ETHYNYLBENZYL SUBSTITUENTS PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) 2017-07-06 — — WO disclosed
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