SCHEMBL2852667

SCHEMBL2852667

CN(c1nccs1)C1CCN(CC#Cc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
EBP Q15125 1/20 0.44
SCN1A P35498 2/20 0.40
SCN8A Q9UQD0 2/20 0.40
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
ALDH1A1 P00352 2/20 0.38
USP30 Q70CQ3 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CSF1R P07333 1/20 0.38
GRIN2B Q13224 2/20 0.37
GRIN1 Q05586 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
GRM5 P41594 2/20 0.36
AGTR2 P50052 1/20 0.36

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
SCHEMBL975924 0.94 TRPM8 (0.39) SIGMAR1EBPSCN1ASCN8AALDH1A1
SCHEMBL4701149 0.94 GRIN2B (0.41) SIGMAR1EBPSCN1ASCN8ADRD2
SCHEMBL975937 0.79 SCN1A (0.37) SCN1ASCN8AGRM5
SCHEMBL972416 0.78 AR (0.40) SIGMAR1SCN8ADRD2HTR2AHTR2C
SCHEMBL4701151 0.77 AR (0.43) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL973942 0.74 TRPM8 (0.43) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL975221 0.74 SCN8A (0.45) SIGMAR1SCN1ASCN8AHTR2AHTR2C
SCHEMBL4700276 0.71 LMNA (0.43) SCN1ASCN8AGRIN2BGRIN1GRM5
SCHEMBL972486 0.71 USP30 (0.39) SIGMAR1EBPSCN1ASCN8AUSP30
SCHEMBL8234366 0.70 VNN1 (0.50)

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
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO disclosed