SCHEMBL21361603

SCHEMBL21361603

CC(I)N1CCN(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CHRNA7 P36544 2/20 0.50
GFER P55789 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
ATM Q13315 1/20 0.47
MAPT P10636 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD2 P14416 1/20 0.47
PKM P14618 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
CHRNB2 P17787 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1099464 0.83 KDM4E (0.66) KDM4EALDH1A1CHRNA7GFERL3MBTL1
SCHEMBL23340098 0.80 ADRA2A (0.54) KDM4EALDH1A1CHRNA7GFERL3MBTL1
SCHEMBL4252814 0.80 KDM4E (0.50) KDM4EALDH1A1CHRNA7GFERL3MBTL1
SCHEMBL10671655 0.80 KDM4E (0.50) KDM4EALDH1A1CHRNA7GFERL3MBTL1
SCHEMBL23759665 0.79 CHRNB2 (0.51) CHRNA7CHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL11446878 0.78 CHRM2 (0.49) KDM4EALDH1A1CHRNA7GFERL3MBTL1
SCHEMBL7420676 0.78 CYP2D6 (0.77) KDM4EALDH1A1CHRNA7GFERL3MBTL1
SCHEMBL164538 0.78 LMNA (0.67) ALDH1A1CHRNA7L3MBTL1MAPTSIGMAR1
SCHEMBL576454 0.78 LMNA (0.67) ALDH1A1CHRNA7L3MBTL1MAPTSIGMAR1
SCHEMBL576814 0.78 LMNA (0.67) ALDH1A1CHRNA7L3MBTL1MAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed