SCHEMBL6274209

SCHEMBL6274209

COc1cc(S(=O)(=O)c2ccc(CCNC[C@@H](O)c3cccnc3)cc2)cc(C(N)=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 17/20 0.53
ADRB2 P07550 12/20 0.53
ADRB3 P13945 18/20 0.53

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
SCHEMBL6274206 1.00 ADRB1 (0.53) ADRB1ADRB2ADRB3
Hydrochloric Acid SCHEMBL6275334 0.99 ADRB3 (0.53) ADRB1ADRB2ADRB3
Hydrochloric Acid SCHEMBL6275332 0.99 ADRB3 (0.53) ADRB1ADRB2ADRB3
Hydrochloric Acid SCHEMBL6278243 0.89 ADRB3 (0.56) ADRB1ADRB2ADRB3
Hydrochloric Acid SCHEMBL6278250 0.89 ADRB3 (0.56) ADRB1ADRB2ADRB3
Hydrochloric Acid SCHEMBL6273542 0.86 ADRB3 (0.53) ADRB1ADRB2ADRB3
Hydrochloric Acid SCHEMBL6273534 0.86 ADRB3 (0.53) ADRB1ADRB2ADRB3
SCHEMBL6272456 0.86 ADRB3 (0.58) ADRB1ADRB3
SCHEMBL6272454 0.86 ADRB3 (0.58) ADRB1ADRB3
Hydrochloric Acid SCHEMBL6273546 0.85 ADRB1 (0.55) ADRB1ADRB2ADRB3

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
WO-2005110981-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-11-24 WO claimed