SCHEMBL16612591

SCHEMBL16612591

CC1(C)CC(O)CCC1NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.42
GRIN2B Q13224 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
IDO1 P14902 1/20 0.40
EBP Q15125 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
FYN P06241 1/20 0.38
ABCB1 P08183 3/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37

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
SCHEMBL31368058 0.75 PKM (0.46) MEN1KMT2A
SCHEMBL1644281 0.74 GRIN2B (0.49) FUCA1GRIN2BOPRM1OPRL1EBP
SCHEMBL16386245 0.73 GRIN2B (0.44) FUCA1GRIN2BOPRM1OPRL1IDO1
SCHEMBL4371247 0.73 GRIN2B (0.41) FUCA1GRIN2BOPRM1OPRL1BCHE
SCHEMBL14657362 0.72 GRIN2B (0.62) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL5246474 0.72 GRIN2B (0.62) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL16612528 0.72 GRIN2B (0.43) GRIN2BOPRM1OPRL1IDO1BCHE
SCHEMBL12061489 0.72 CARM1 (0.45) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL19857422 0.71 OPRM1 (0.44) FUCA1GRIN2BOPRM1OPRL1EBP
SCHEMBL12699061 0.71 GRIN2B (0.41) FUCA1GRIN2BOPRM1OPRL1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed