SCHEMBL436179

SCHEMBL436179

CC(C)N(C(=O)C1(C)CCNCC1)c1cccc(-c2ccc3c(c2)CCC(C(=O)NO)C3)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 3/20 0.35
FAAH O00519 11/20 0.34
GHSR Q92847 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
AAK1 Q2M2I8 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL435694 0.87 GHSR (0.35) GHSROPRM1OPRD1OPRK1
SCHEMBL435891 0.85 FAAH (0.36) FAAHOPRM1OPRD1OPRK1
SCHEMBL434259 0.81 F10 (0.39) GRIA2FAAHGHSRAAK1HDAC1
SCHEMBL436178 0.77 FAAH (0.35) FAAHGHSROPRM1OPRD1OPRK1
SCHEMBL12505567 0.77 FAAH (0.36) FAAHGHSR
SCHEMBL436726 0.74 GHSR (0.42) GHSRHDAC1HDAC2HDAC8
SCHEMBL346196 0.73 GSK3B (0.46) FAAH
SCHEMBL345716 0.73 KHK (0.40) GHSRHDAC1MCHR1
SCHEMBL460073 0.71 HDAC1 (0.41) GRIA2FAAHGHSRHDAC1MCHR1
SCHEMBL346787 0.71 GRIA2 (0.40) GRIA2FAAHGHSROPRM1OPRD1

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-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed