SCHEMBL22784287

SCHEMBL22784287

NC(=O)NCC12CCN(CC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
CHRM1 P11229 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
PRSS1 P07477 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL15680305 0.72
SCHEMBL31286044 0.70
SCHEMBL14699658 0.68
SCHEMBL8470823 0.68 ALDH1A1 (0.39) ALDH1A1TSHRTDP1HTT
SCHEMBL178441 0.67
SCHEMBL22309845 0.67
SCHEMBL20888086 0.67 TSHR (0.45) ALDH1A1TSHRTDP1
SCHEMBL22784173 0.65
SCHEMBL2290939 0.65 ALDH1A1 (1.00) ALDH1A1TSHRHTTL3MBTL1
SCHEMBL9696948 0.65

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-2020252222-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2020-12-17 WO disclosed