SCHEMBL4961889

SCHEMBL4961889

O=C(C1CC1)N(CCc1ccc(O)cc1)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
CNR2 P34972 2/20 0.49
PTGIR P43119 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR5 P51681 2/20 0.41
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
POLB P06746 2/20 0.38

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
SCHEMBL4961878 0.85 HTT (0.50) HTTCNR2PTGIRCYP1A2CYP2D6
SCHEMBL4969869 0.81 HTT (0.63) HTTCNR2PTGIRGAACCR5
SCHEMBL4966810 0.78 HTT (0.49) HTTCNR2MAPTALDH1A1KMT2A
SCHEMBL4967508 0.77 HTT (0.50) HTTCNR2CYP2D6CNR1
SCHEMBL4963023 0.74 HTT (0.54) HTTCNR2NPC1RAB9AGAA
SCHEMBL5305249 0.72 CNR2 (0.51) HTTCNR2NR1H4POLBALDH1A1
SCHEMBL4966178 0.70 CNR2 (0.60) HTTCNR2MAPTSMN1; SMN2NR1H4
SCHEMBL4962835 0.70 HTT (0.60) HTTCNR2PTGIRNPC1RAB9A
SCHEMBL4560442 0.69 HTT (0.63) HTTGAASMN1; SMN2CCR5KDM4E
SCHEMBL5647781 0.69 ESR1 (0.74) NPC1RAB9AGAACYP1A2CYP2D6

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