SCHEMBL24317425

SCHEMBL24317425

CNCC1CCCN(SC)C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SIGMAR1 Q99720 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL23489042 0.79 BCHE (0.31)
SCHEMBL23892037 0.77 NCF1 (0.39)
SCHEMBL20093659 0.77 CYP2D6 (0.36) ALDH1A1
SCHEMBL24498429 0.76 L3MBTL1 (0.39) ROCK2ROCK1CARM1PRMT6
SCHEMBL2885366 0.76 CHRM2 (0.38) ROCK2ROCK1CDC42BPBRPS6KB1AKT1
SCHEMBL19575592 0.76 CHRM2 (0.38) ROCK2ROCK1CDC42BPBRPS6KB1AKT1
SCHEMBL24196665 0.73 RPS6KB1 (0.36) ROCK2ROCK1CDC42BPBRPS6KB1AKT1
SCHEMBL13188864 0.72 CARM1 (0.41) ROCK2ROCK1CDC42BPBRPS6KB1AKT1
SCHEMBL23133622 0.71 HRH4 (0.35)
SCHEMBL23132328 0.71 HRH4 (0.35)

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-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed