Sugi Predict

Sugi Predict / Compounds / SCHEMBL18897381

SCHEMBL18897381

SCHEMBL18897381

NC[C@H](OC(=O)C1(c2ccccc2)CCN(C(=O)CCc2ccc(C(=O)N(CCCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)Cc3ccccc3)cc2)CC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.50
▸ CHRM3 P20309 9/20 0.50
▸ ADRB1 P08588 9/20 0.46
▸ DRD2 P14416 2/20 0.41
▸ DRD1 P21728 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ DRD3 P35462 2/20 0.41

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
SCHEMBL21573505 0.95 ADRB2 (0.50) ADRB2CHRM3ADRB1DRD2DRD1
SCHEMBL21573503 0.93 ADRB2 (0.50) ADRB2CHRM3ADRB1
SCHEMBL21568678 0.88 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL21568679 0.88 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL18260021 0.86 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL18260024 0.86 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL28341161 0.86 ADRB2 (0.69) ADRB2CHRM3
SCHEMBL21573549 0.85 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL21568555 0.83 ADRB2 (0.53) ADRB2CHRM3ADRB1DRD2DRD1
SCHEMBL21568557 0.83 ADRB2 (0.53) ADRB2CHRM3ADRB1DRD2DRD1

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
US-9662323-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-30 — — US disclosed
Send feedback