SCHEMBL4295046

SCHEMBL4295046

Cc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)c2ccc(C(F)(F)F)cc2F)CCCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 4/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ SMO Q99835 1/20 0.35
▸ GPR27 Q9NS67 1/20 0.35
▸ NPY2R P49146 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL4301800 0.93 DDR1 (0.39) SLC6A9TRPV1NPY2RCACNA1BHCRTR1
SCHEMBL4009200 0.87 ABCB1 (0.40) TRPV4NPY2RHTTMEN1POLB
SCHEMBL4006854 0.84 ALDH1A1 (0.37) HCRTR1HCRTR2MAPT
SCHEMBL4309250 0.83 TAS1R3 (0.37) SLC6A9MAPT
SCHEMBL4003450 0.83 HCRTR1 (0.36) HCRTR1HCRTR2MAPTCYP3A4CYP2C9
SCHEMBL4005617 0.83 ITGB1 (0.36) KDM4ERXFP1MAPTPOLB
SCHEMBL4005126 0.82 HSD11B1 (0.34) KDM4EMAPTCYP3A4
SCHEMBL4010758 0.81 ALDH1A1 (0.37) KDM4EMAPTMEN1POLBCYP2C9
SCHEMBL4009205 0.81 ITGB1 (0.38) MAPT
SCHEMBL4006080 0.81 CYP3A4 (0.39) KDM4EHTTMAPTMEN1CYP1A2

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
Send feedback