SCHEMBL27365524

SCHEMBL27365524

CC(=O)CC1=CCCN(I)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
NOTUM Q6P988 1/20 0.31
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
THRB P10828 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL9499202 0.75 CHRNB2 (0.50) CHRNB2CHRNA4LMNACHRM2CHRM4
SCHEMBL989411 0.75
SCHEMBL722436 0.72 ALDH1A1 (0.44) LMNA
SCHEMBL9568968 0.71 QDPR (0.40)
SCHEMBL23418849 0.68 TSHR (0.36) LMNACHRM3
SCHEMBL2995496 0.66 MAPK1 (0.33)
SCHEMBL22142424 0.63 NOTUM (0.39) CHRNB2CHRNA4NOTUM
SCHEMBL3623103 0.62
SCHEMBL14340659 0.59 QDPR (0.38)
SCHEMBL28373304 0.59 KDM4E (0.31)

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-2024054766-A2 MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER MITO BIOPHARMA, LLC (US) 2024-03-14 WO disclosed