SCHEMBL20154130

SCHEMBL20154130

C/C(=C\CN(C)C(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 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
SCHEMBL23784253 0.80
SCHEMBL24225944 0.78 HTR2A (0.30) HTR2A
SCHEMBL19618677 0.74
SCHEMBL22402429 0.71 KDM4E (0.32)
SCHEMBL938140 0.71
SCHEMBL14235488 0.66
SCHEMBL15524650 0.66
SCHEMBL21076313 0.66
SCHEMBL3685823 0.66
SCHEMBL3685822 0.66

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310777-B1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-09 EP disclosed
WO-2018089648-A2 DI-SULFIDE CONTAINING CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2018-05-17 WO disclosed