SCHEMBL11191804

SCHEMBL11191804

COCc1cc(C(O)CNC(C)Cc2ccc3c(c2)OCO3)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 15/20 0.68
▸ ADRB1 P08588 13/20 0.68
▸ ADRB3 P13945 13/20 0.68
▸ ADRA1D P25100 10/20 0.68
▸ ADRA1A P35348 10/20 0.68
▸ ADRA1B P35368 10/20 0.68
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CYP2D6 P10635 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48

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
Protokylol SCHEMBL50567 0.87 ADRB2 (0.76) ADRB2ADRB1ADRB3ADRA1DADRA1A
Protokylol SCHEMBL210099 0.86 ADRB2 (0.74) ADRB2ADRB1ADRB3ADRA1DADRA1A
Protokylol SCHEMBL523029 0.85 ADRB2 (0.73) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL11180839 0.85 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1ACYP2D6
SCHEMBL11180299 0.82 ADRB2 (0.69) ADRB2ADRB1ADRB3ADRA1ACYP2D6
SCHEMBL11670365 0.81 ADRB3 (0.70) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL9360625 0.81 ADRB2 (0.64) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL10446972 0.81 ADRB2 (0.64) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL9361014 0.81 ADRB2 (0.64) ADRB2ADRB1ADRB3ADRA1DADRA1A
Oxalic Acid SCHEMBL11187214 0.81 ADRB2 (0.63) ADRB2ADRB1ADRB3ADRA1ACYP2D6

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
US-4376780-A Novel phenethylamine derivatives and bronchdilator containing the same EISAI CO., LTD. (JP) 1983-03-15 — — US disclosed
US-4317930-A Phenethylamine derivatives and bronchdilator containing the same EISAI CO., LTD. (JP) 1982-03-02 — — US disclosed
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