SCHEMBL4961973

SCHEMBL4961973

O=C(C1CC1)N(c1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.49
CHRM3 P20309 3/20 0.49
CNR2 P34972 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PAX8 Q06710 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MITF O75030 1/20 0.48
POLB P06746 2/20 0.42
AGER Q15109 1/20 0.42
LMNA P02545 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
PDK2 Q15119 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4964874 0.87 CHRM2 (0.43) CHRM2CHRM3CNR2NPC1RAB9A
SCHEMBL27629277 0.83 NPC1 (0.54) CHRM2CHRM3CNR2NPC1RAB9A
SCHEMBL5535883 0.83 NPC1 (0.50) CHRM2CHRM3CNR2NPC1RAB9A
Hydrochloric Acid SCHEMBL4000833 0.82 SLC6A2 (0.47) CHRM2CHRM3CNR2NPC1RAB9A
SCHEMBL3817012 0.82 NPC1 (0.49) CHRM2CHRM3CNR2NPC1RAB9A
SCHEMBL26256073 0.80 SCN4A (0.42) CHRM2CHRM3CNR2NPC1RAB9A
SCHEMBL4963705 0.79 CYP46A1 (0.38) CHRM2CHRM3CNR2NPC1RAB9A
SCHEMBL5086341 0.79 CNR2 (0.56) CNR2NPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5086671 0.77 CHRM2 (0.44) CHRM2CHRM3CNR2NPC1RAB9A
SCHEMBL6424264 0.77 PDK2 (0.56) CNR2NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed