SCHEMBL4009940

SCHEMBL4009940

Cc1ccc(Cl)cc1C(=O)N[C@]1(c2ccccc2)CCCNC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.52
TACR3 P29371 1/20 0.40
CHRM1 P11229 1/20 0.40
P2RX7 Q99572 3/20 0.38
SSTR4 P31391 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
MAPT P10636 1/20 0.36
KCNMA1 Q12791 1/20 0.36
F9 P00740 3/20 0.35

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
SCHEMBL4010839 0.86 SLC6A9 (0.51) SLC6A9TACR3P2RX7SSTR4
SCHEMBL4011286 0.78 SLC6A9 (0.50) SLC6A9TACR3SSTR4
SCHEMBL4004238 0.76 TACR3 (0.48) SLC6A9TACR3ROCK2ROCK1MAPT
SCHEMBL4006927 0.72 SLC6A9 (0.49) SLC6A9TACR3SSTR4ROCK2ROCK1
SCHEMBL4006834 0.71 SLC6A9 (0.56) SLC6A9ROCK2ROCK1MAPT
SCHEMBL4003575 0.71 ALDH1A1 (0.58) SLC6A9ROCK2ROCK1
SCHEMBL19343472 0.70 PHGDH (0.59) SLC6A9
SCHEMBL4000824 0.70 SLC6A9 (0.49) SLC6A9SSTR4ROCK2ROCK1
SCHEMBL17188052 0.69 HTR2A (0.50) SLC6A9SSTR4ROCK2ROCK1
SCHEMBL24943684 0.69 OPRM1 (0.41) CHRM1MAPT

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