SCHEMBL17101400

SCHEMBL17101400

CS(=O)(=O)Nc1cc([C@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 20/20 1.00
▸ ADRB2 P07550 17/20 1.00

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
SCHEMBL14199539 1.00 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL14199548 0.93 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL14199537 0.92 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL14199530 0.88 CHRM3 (0.79) CHRM3ADRB2
SCHEMBL4995831 0.84 CHRM3 (0.72) CHRM3ADRB2
SCHEMBL4995820 0.84 CHRM3 (0.72) CHRM3ADRB2
SCHEMBL5655232 0.83 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL5655220 0.83 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL5655228 0.83 CHRM3 (1.00) CHRM3ADRB2
SCHEMBL5650667 0.82 CHRM3 (1.00) CHRM3ADRB2

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-3119752-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2017-01-25 — — EP disclosed
WO-2015140527-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2015-09-24 — — WO disclosed
Send feedback