SCHEMBL4011286

SCHEMBL4011286

O=C(O)N[C@]1(c2ccccc2)CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.50
SSTR4 P31391 1/20 0.49
HTR2A P28223 1/20 0.43
HSD17B10 Q99714 1/20 0.42
TACR3 P29371 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
AKR1C1 Q04828 1/20 0.40
OPRM1 P35372 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC6 Q9UBN7 3/20 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
SCHEMBL17188052 0.90 HTR2A (0.50) SLC6A9SSTR4HTR2AHSD17B10AKR1C1
SCHEMBL4010839 0.83 SLC6A9 (0.51) SLC6A9SSTR4TACR3
SCHEMBL2712662 0.83 SSTR4 (0.53) SSTR4HSD17B10TACR3AKR1C1HDAC4
SCHEMBL3560390 0.83 SSTR4 (0.56) SSTR4HSD17B10TACR3AKR1C1HDAC4
SCHEMBL4007365 0.82 SSTR4 (0.54) SLC6A9SSTR4OPRM1HDAC3HDAC1
SCHEMBL4006927 0.82 SLC6A9 (0.49) SLC6A9SSTR4HSD17B10TACR3HDAC1
SCHEMBL4006087 0.82 SSTR4 (0.54) SLC6A9SSTR4OPRM1HDAC3HDAC1
SCHEMBL6972395 0.81 OPRM1 (0.50) SSTR4HTR2AHSD17B10TACR3AKR1C1
SCHEMBL6620132 0.81 SSTR4 (0.59) SSTR4TACR3AKR1C1HDAC4HDAC3
Hydrochloric Acid SCHEMBL7723494 0.80 OPRM1 (0.48) SSTR4HTR2AHSD17B10TACR3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed