SCHEMBL21970960

SCHEMBL21970960

CCCC(C)CNC(=O)C1(F)CCCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.33
LMNA P02545 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TSHR P16473 1/20 0.31
CETP P11597 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
SCHEMBL21970964 0.82 POLB (0.42) MME
SCHEMBL6722464 0.68 CYP2D6 (0.56) MMELMNAHRH4HRH3TSHR
SCHEMBL8436494 0.68 TSHR (0.42) HRH4HRH3TSHR
SCHEMBL6722463 0.68 HRH4 (0.43) LMNAHRH4HRH3TSHR
SCHEMBL25481755 0.68 MEN1 (0.38) MMETSHR
SCHEMBL20103556 0.67 CYP3A4 (0.37) MME
SCHEMBL21091583 0.66 TSHR (0.41) MMELMNAHRH4HRH3TSHR
SCHEMBL6382972 0.66 TSHR (0.41) HRH4HRH3TSHR
SCHEMBL8436493 0.66 TSHR (0.41) LMNAHRH4HRH3TSHR
SCHEMBL25963585 0.66 MEN1 (0.43) HRH4HRH3TSHR

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
EP-3270903-B1 DISULFIDE-CONTAINING ALKYNE LINKING AGENTS ARROWHEAD PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed