SCHEMBL24404454

SCHEMBL24404454

CN1CCCC2(CCN(C(=O)c3ccc(CCNCC(O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.53
▸ ADRB1 P08588 16/20 0.53
▸ ADRB3 P13945 8/20 0.52
▸ CHRM3 P20309 1/20 0.51
▸ CHRM2 P08172 1/20 0.49

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
SCHEMBL18813850 0.94 ADRB2 (0.56) ADRB2ADRB1ADRB3CHRM2
SCHEMBL18017290 0.86 ADRB2 (0.62) ADRB2ADRB1ADRB3
SCHEMBL21568646 0.83 ADRB2 (0.61) ADRB2ADRB1ADRB3CHRM3
SCHEMBL21568647 0.83 ADRB2 (0.61) ADRB2ADRB1ADRB3CHRM3
SCHEMBL18557690 0.81 ADRB2 (0.58) ADRB2ADRB1ADRB3CHRM3CHRM2
SCHEMBL17978762 0.79 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL17978760 0.79 ADRB2 (0.60) ADRB2CHRM3
SCHEMBL17978803 0.79 ADRB2 (0.59) ADRB2CHRM3
SCHEMBL17978826 0.79 ADRB2 (0.59) ADRB2CHRM3
SCHEMBL18557747 0.78 ADRB2 (0.57) ADRB2ADRB1ADRB3CHRM3CHRM2

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-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 — — EP disclosed
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