Sugi Predict

Sugi Predict / Compounds / SCHEMBL24404461

SCHEMBL24404461

SCHEMBL24404461

O=C(OCC1CCN(Cc2ccccc2)CC1)C(c1ccccc1)c1cccc(OCc2ccc(C(=O)N3CCC4(CCN(C(=O)c5ccc(CCNCC(O)c6ccc(O)c7[nH]c(=O)ccc67)cc5)CC4)CC3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.64
▸ CHRM3 P20309 20/20 0.64

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
SCHEMBL18812336 0.97 ADRB2 (0.65) ADRB2CHRM3
SCHEMBL24404512 0.97 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL18557795 0.97 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL24404536 0.95 ADRB2 (0.67) ADRB2CHRM3
SCHEMBL18557675 0.95 ADRB2 (0.67) ADRB2CHRM3
SCHEMBL18557793 0.95 ADRB2 (0.63) ADRB2CHRM3
SCHEMBL24404429 0.94 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL18557634 0.93 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL24404509 0.93 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL18557665 0.93 ADRB2 (0.63) ADRB2CHRM3

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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