SCHEMBL24404436

SCHEMBL24404436

CN1CC2CCN(C(=O)c3ccc(CCNCC(O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)C2C1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.55
▸ ADRB1 P08588 15/20 0.54
▸ ADRB3 P13945 7/20 0.54
▸ CHRM2 P08172 1/20 0.51
▸ CHRM3 P20309 1/20 0.50

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
SCHEMBL18557747 0.82 ADRB2 (0.57) ADRB2ADRB1ADRB3CHRM2CHRM3
SCHEMBL18813850 0.81 ADRB2 (0.56) ADRB2ADRB1ADRB3CHRM2
SCHEMBL18017290 0.81 ADRB2 (0.62) ADRB2ADRB1ADRB3
SCHEMBL18557690 0.80 ADRB2 (0.58) ADRB2ADRB1ADRB3CHRM2CHRM3
SCHEMBL18557745 0.80 ADRB2 (0.57) ADRB2ADRB1ADRB3CHRM3
SCHEMBL17978944 0.79 ADRB2 (0.57) ADRB2CHRM3
SCHEMBL17978945 0.79 ADRB2 (0.57) ADRB2CHRM3
SCHEMBL17979221 0.79 ADRB2 (0.57) ADRB2CHRM3
SCHEMBL17979224 0.79 ADRB2 (0.57) ADRB2CHRM3
SCHEMBL24404454 0.78 ADRB2 (0.53) ADRB2ADRB1ADRB3CHRM2CHRM3

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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