SCHEMBL19982909

SCHEMBL19982909

C=C(C)NC1CC2CCC1C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
EPHX2 P34913 3/20 0.49
SIGMAR1 Q99720 4/20 0.47
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
EPHX1 P07099 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6234506 0.81 EPHX2 (0.51) MAPTEPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL5590882 0.79 EPHX2 (0.58) MAPTEPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL5590888 0.79 EPHX2 (0.58) MAPTEPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL5590880 0.79 EPHX2 (0.58) MAPTEPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL19688352 0.79 EPHX2 (0.58) MAPTEPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL3087399 0.75 EPHX2 (0.57) MAPTEPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL3058973 0.75 MAPT (0.51) MAPTEPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL3068908 0.75 MAPT (0.51) MAPTEPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL3068550 0.75 EPHX2 (0.53) MAPTEPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL3082238 0.74 MAPT (0.70) MAPTEPHX2SIGMAR1GRIN2DGRIN3B

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
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed