SCHEMBL21603676

SCHEMBL21603676

CCC1(CC)CC1C(=O)NC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
GBA1 P04062 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL20798258 0.75 APLNR (0.37) ALDH1A1
SCHEMBL11518296 0.75 APLNR (0.37) ALDH1A1
SCHEMBL9748351 0.73 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL9748256 0.72
SCHEMBL9748261 0.72
SCHEMBL22313894 0.72
SCHEMBL13411547 0.72
SCHEMBL13888750 0.72
SCHEMBL9747784 0.70
SCHEMBL22313291 0.70

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-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed