SCHEMBL21361657

SCHEMBL21361657

C1=C(C2=CCNCC2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
HTR2C P28335 8/20 0.50
QDPR P09417 3/20 0.48
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11246723 0.93 SIGMAR1 (0.50) SIGMAR1HTR2CQDPRHRH3KDM4E
SCHEMBL9212418 0.83 SIGMAR1 (0.39) SIGMAR1HTR2CQDPRHRH3
SCHEMBL918640 0.82 TYMP (0.34) SIGMAR1HTR2CQDPR
SCHEMBL604266 0.77 TYMP (0.40) HRH3ALDH1A1
SCHEMBL15048839 0.77 TYMP (0.40) HRH3ALDH1A1
SCHEMBL8015147 0.73 SIGMAR1 (0.52) SIGMAR1HTR2CQDPRHRH3KDM4E
SCHEMBL3343472 0.72
SCHEMBL28649782 0.72
SCHEMBL1109730 0.72 TYMP (0.41) ALDH1A1
SCHEMBL23074510 0.71 SIGMAR1 (0.46) SIGMAR1HTR2CQDPRHRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765447-B1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2023-07-12 EP disclosed
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed