SCHEMBL15219092

SCHEMBL15219092

CC(C)(C)OC(=O)N1CCC(CSC(C)(C)C(=O)Nc2ccc(C(F)F)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
WNT3A P56704 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
GPR119 Q8TDV5 8/20 0.41
FAAH O00519 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL1620745 0.87 EPHX2 (0.46) F13A1TGM2TGM1MAPTWNT3A
SCHEMBL1621211 0.77 CNR2 (0.48) NPC1FAAH
SCHEMBL20281624 0.73 ALOX5AP (0.45) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL4013212 0.72 EPHX2 (0.49) F13A1TGM2TGM1MAPTWNT3A
SCHEMBL1621137 0.72 NPY5R (0.49) NPC1ALDH1A1MAPTRAB9A
SCHEMBL1621869 0.72 CNR2 (0.46) NPC1
SCHEMBL1619573 0.70 NPY5R (0.47) NPC1RAB9A
SCHEMBL15219098 0.70 RAB9A (0.44) NPC1MAPTRAB9AKDM4E
SCHEMBL1620749 0.70 EPHX2 (0.47) F13A1TGM2TGM1MAPTWNT3A
SCHEMBL24738966 0.69 GSK3B (0.43) F13A1TGM2TGM1MAPTMAPK1

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-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP disclosed