SCHEMBL21837271

SCHEMBL21837271

CCCC(=NOC)C1CCN(C2CCCN(C(=O)O)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.42
CHRM2 P08172 5/20 0.37
CHRM3 P20309 1/20 0.37
CHRM4 P08173 1/20 0.36
CCR5 P51681 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL3 Q96JM7 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.32
MBTD1 Q05BQ5 1/20 0.32

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
SCHEMBL18825283 1.00 CHRM1 (0.42) CHRM1CHRM2CHRM3CHRM4CCR5
SCHEMBL18825281 1.00 CHRM1 (0.42) CHRM1CHRM2CHRM3CHRM4CCR5
SCHEMBL21837270 1.00 CHRM1 (0.42) CHRM1CHRM2CHRM3CHRM4CCR5
SCHEMBL18825110 0.91 CHRM1 (0.43) CHRM1CHRM2CHRM3CHRM4CCR5
SCHEMBL21837258 0.91 CHRM1 (0.43) CHRM1CHRM2CHRM3CHRM4CCR5
SCHEMBL18825108 0.91 CHRM1 (0.43) CHRM1CHRM2CHRM3CHRM4CCR5
SCHEMBL21837273 0.91 CHRM1 (0.43) CHRM1CHRM2CHRM3CHRM4CCR5
SCHEMBL18825102 0.89 CHRM1 (0.56) CHRM1CHRM2CHRM3CHRM4TP53
SCHEMBL18849552 0.89 CHRM1 (0.56) CHRM1CHRM2CHRM3CHRM4TP53
SCHEMBL29854514 0.89 CHRM1 (0.56) CHRM1CHRM2CHRM3CHRM4TP53

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-3370828-B1 OXIME COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LTD (GB) 2020-04-15 EP claimed