SCHEMBL10000243

SCHEMBL10000243

Cc1cnc(C2CCC(C)CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
MAPK1 P28482 1/20 0.35
PDE10A Q9Y233 1/20 0.34
AOC3 Q16853 1/20 0.32
CHRM3 P20309 3/20 0.31
PDE4A P27815 3/20 0.31
PDE4B Q07343 3/20 0.31
PDE4C Q08493 3/20 0.31
PDE4D Q08499 3/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
HDAC4 P56524 1/20 0.31
LDHA P00338 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL6879913 0.91 MAPK1 (0.39) MAPK1PDE10AAOC3CHRM3PDE4A
SCHEMBL12457538 0.82 MAPK1 (0.37) MAPK1PDE10AAOC3CHRM3PDE4A
SCHEMBL18511914 0.81 ESR2 (0.44) ESR2MAPK1PDK2PDK4HDAC4
SCHEMBL8984420 0.81 ESR2 (0.48) ESR2CHRM3PDE4APDE4BPDE4C
SCHEMBL17972935 0.80 L3MBTL1 (0.37) MAPK1CHRM3PDE4APDE4BPDE4C
SCHEMBL1332474 0.78 MAPK1 (0.35) MAPK1PDE10APDK2PDK4HDAC4
SCHEMBL11190323 0.78 ESR2 (0.41) ESR2CHRM3PDE4APDE4BPDE4C
SCHEMBL10091188 0.78 CHRM3 (0.35) MAPK1PDE10AAOC3CHRM3PDE4A
SCHEMBL11190329 0.78 ESR2 (0.41) ESR2CHRM3PDE4APDE4BPDE4C
SCHEMBL18509357 0.77 ESR2 (0.39) ESR2PDE10ACHRM3PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012120262-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS LARSSON PIA (SE) 2012-09-13 WO disclosed
US-8158020-B2 Liquid crystal element, optical path deflecting element, and image displaying apparatus RICOH COMPANY, LTD. (JP) 2012-04-17 US disclosed
US-8158020-B2 Liquid crystal element, optical path deflecting element, and image displaying apparatus RICOH COMPANY, LTD. (JP) 2012-04-17 US disclosed
US-20080204608-A1 Liquid Crystal Element, Optical Path Deflecting Element, and Image Displaying Apparatus RICOH COMPANY, LTD. (JP) 2008-08-28 US disclosed
US-20080204608-A1 Liquid Crystal Element, Optical Path Deflecting Element, and Image Displaying Apparatus RICOH COMPANY, LTD. (JP) 2008-08-28 US disclosed