SCHEMBL11187983

SCHEMBL11187983

C[S+]([O-])c1cc(C(O)CNCCCCOCc2cnc3ccccc3c2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.49
▸ ADRB1 P08588 14/20 0.49
▸ ADRB3 P13945 14/20 0.49
▸ SLC6A2 P23975 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ ADRA1A P35348 2/20 0.45
▸ SLC6A3 Q01959 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ FPR3 P25089 1/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HTR1B P28222 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ GPR183 P32249 1/20 0.45

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
SCHEMBL11189477 0.86 ADRB2 (0.38) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11191846 0.86 ADRB2 (0.64) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11187975 0.85 ADRB2 (0.41) ADRB2ADRB1ADRB3SLC6A2SLC6A4
SCHEMBL11195924 0.84 ADRB2 (0.48) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11193790 0.84 ADRB2 (0.52) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11196398 0.84 ADRB2 (0.49) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11194974 0.83 ADRB2 (0.51) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11192412 0.83 ADRB2 (0.50) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11198322 0.83 ADRB2 (0.49) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11196833 0.83 ADRB2 (0.64) ADRB2ADRB1ADRB3SLC6A2HTR2A

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-4379166-A Arylmethoxy-, arylmethylthio-, heteroarylmethoxy-, and heteroarylmethylthio-alkylaminoalcohols SCHERING CORPORATION (US) 1983-04-05 — — US disclosed
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