SCHEMBL9360806

SCHEMBL9360806

CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 16/20 0.53
▸ ADRB3 P13945 15/20 0.53
▸ ADRB1 P08588 11/20 0.53
▸ ADRA1D P25100 10/20 0.53
▸ ADRA1A P35348 10/20 0.53
▸ ADRA1B P35368 10/20 0.53
▸ ALOX15 P16050 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ ACE P12821 1/20 0.42

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
SCHEMBL9360727 0.85 MEN1 (0.49) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL7051039 0.84 ADRB2 (0.54) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL7051037 0.84 ADRB2 (0.54) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL10661432 0.83 ADRB2 (0.49) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL9361467 0.81 NPC1 (0.40) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL11082263 0.81 ADRB2 (0.50) ADRB2ADRB3ADRB1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL11092374 0.80 ADRB2 (0.49) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL11812984 0.75 CTSV (0.43) ADRB3SMN1; SMN2
SCHEMBL31603899 0.74 CTSV (0.51) ADRB3
SCHEMBL3628731 0.74 KMT2A (0.46) ADRB2ADRB3ADRB1ADRA1ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390762-B1 New bronchospasmolytic compounds and process for their preparation DRACO AB (SE) 1994-01-19 — — EP disclosed
EP-0390762-A1 New bronchospasmolytic compounds and process for their preparation Aktiebolaget Draco (SE) 1990-10-03 — — EP disclosed
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