SCHEMBL18399355

SCHEMBL18399355

CN1CCc2c(n(CC(O)c3ccc(C=O)cc3)c3ccc(Cl)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PTGER4 P35408 1/20 0.43
BAZ2B Q9UIF8 5/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
BCHE P06276 3/20 0.42
RAD52 P43351 1/20 0.39
NLRP1 Q9C000 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL3236149 0.91 HDAC1 (0.49) HDAC1HDAC6BAZ2BGRIN2DGRIN3B
SCHEMBL18399357 0.90 GRIN2D (0.53) HDAC1HDAC6GRIN2DGRIN3BGRIN1
SCHEMBL3229736 0.88 GRIN2D (0.53) HDAC1HDAC6BAZ2BGRIN2DGRIN3B
SCHEMBL3234803 0.87 BCHE (0.49) HDAC1HDAC6BAZ2BGRIN2DGRIN3B
SCHEMBL3234698 0.87 GRIN2D (0.51) HDAC1HDAC6BAZ2BGRIN2DGRIN3B
SCHEMBL18399356 0.86 HDAC1 (0.43) HDAC1HDAC6BAZ2BGRIN2DGRIN3B
SCHEMBL18399360 0.86 HDAC1 (0.43) HDAC1HDAC6PTGER4BAZ2BGRIN2D
SCHEMBL3231442 0.85 HTR6 (0.48) HDAC1HDAC6BAZ2BGRIN2DGRIN3B
SCHEMBL3235380 0.85 HDAC1 (0.46) HDAC1HDAC6BAZ2BGRIN2DGRIN3B
SCHEMBL3234715 0.85 GRIN2D (0.56) HDAC1HDAC6GRIN2DGRIN3BGRIN1

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
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed