SCHEMBL18557745

SCHEMBL18557745

CN1CCC(CNC(=O)c2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.57
▸ ADRB1 P08588 12/20 0.57
▸ ADRB3 P13945 4/20 0.57
▸ CHRM3 P20309 5/20 0.55

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 0.90 ADRB2 (0.57) ADRB2ADRB1ADRB3CHRM3
SCHEMBL24404464 0.85 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL18557690 0.84 ADRB2 (0.58) ADRB2ADRB1ADRB3CHRM3
SCHEMBL18557659 0.82 ADRB2 (0.62) ADRB2ADRB1ADRB3
SCHEMBL24404436 0.80 ADRB2 (0.55) ADRB2ADRB1ADRB3CHRM3
SCHEMBL17074683 0.79 ADRB2 (0.71) ADRB2ADRB1ADRB3
SCHEMBL17074684 0.79 ADRB2 (0.71) ADRB2ADRB1ADRB3
SCHEMBL17074685 0.79 ADRB2 (0.71) ADRB2ADRB1ADRB3
SCHEMBL18813850 0.79 ADRB2 (0.56) ADRB2ADRB1ADRB3
SCHEMBL17978736 0.79 ADRB2 (0.65) 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
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 — — US disclosed
Send feedback