SCHEMBL27280583

SCHEMBL27280583

CC(C)NC(C)CCC#N

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL27287322 1.00 TSHR (0.48) TSHRTDP1ALDH1A1
SCHEMBL27280584 1.00 TSHR (0.48) TSHRTDP1ALDH1A1
SCHEMBL27280932 0.77
SCHEMBL27864231 0.77 TSHR (0.50) TSHRTDP1ALDH1A1
SCHEMBL20210214 0.74 TDP1 (0.50) TDP1
SCHEMBL27280917 0.74
SCHEMBL27280918 0.74
SCHEMBL27287205 0.74
SCHEMBL2834285 0.73
SCHEMBL27280586 0.73

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-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed