SCHEMBL7818773

SCHEMBL7818773

CCOC(=O)CN1CCCCC1CCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
KMT2A Q03164 3/20 0.42
SLC6A4 P31645 2/20 0.42
PPARG P37231 1/20 0.41
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
DRD3 P35462 4/20 0.41
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
DRD2 P14416 3/20 0.41
CHRM3 P20309 3/20 0.41
DRD4 P21917 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ADRA1A P35348 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7829493 0.85 CHRM1 (0.43) SLC6A4CHRM2CHRM1DRD3CHRM4
Hydrochloric Acid SCHEMBL7987462 0.84 CHRM2 (0.43) KMT2ASLC6A4CHRM2CHRM1DRD3
SCHEMBL7167363 0.78 KDM4E (0.51) NOTUMKMT2ASLC6A4CHRM2CHRM1
SCHEMBL6963485 0.78 KDM4E (0.51) NOTUMKMT2ASLC6A4CHRM2CHRM1
SCHEMBL6966501 0.76 DRD3 (0.58) NOTUMKMT2ASLC6A4CHRM2CHRM1
SCHEMBL8172344 0.73 CHRM1 (0.62) NOTUMCHRM2CHRM1DRD3CHRM4
SCHEMBL7828053 0.73 CHRM2 (0.44) KMT2ASLC6A4CHRM2CHRM1DRD3
SCHEMBL6957645 0.73 CHRM1 (0.47) SLC6A4CHRM2CHRM1DRD3CHRM4
SCHEMBL6968776 0.73 CHRM1 (0.59) CHRM2CHRM1DRD3CHRM4CHRM5
SCHEMBL6420673 0.73 NOTUM (0.61) NOTUMKMT2ASLC6A4PPARGCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214816-B1 ANTIDIABETIC AGENTS, ANALGESICS AND ANTIINFLAMMATORY AGENTS NOVO NORDISK A/S (DK) 2001-04-10 US disclosed
EP-1071679-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-01-31 EP disclosed
WO-1999047517-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-09-23 WO disclosed