SCHEMBL6170953

SCHEMBL6170953

CCN(Cc1ccccn1)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
LIN28A Q9H9Z2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
KCNA5 P22460 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 2/20 0.44
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL2187238 0.91 L3MBTL1 (0.55) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL2189143 0.83 TRPM8 (0.47) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL14260508 0.81 TRPM8 (0.54) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL7169955 0.81 TRPM8 (0.54) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL12204158 0.81 TRPM8 (0.60) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL14544545 0.81 TRPM8 (0.54) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL427048 0.79 SMN1; SMN2 (0.52) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL27373373 0.79 TRPM8 (0.58) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL27439189 0.79 TRPM8 (0.55) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL28923770 0.79 L3MBTL1 (0.60) TRPM8SMN1; SMN2MAPTLIN28ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1332942-C Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2007-08-22 CN disclosed
CN-1703397-A Sulfonylamino-acetic acid derivatives and their use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2005-11-30 CN disclosed
EP-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO disclosed