SCHEMBL29664665

SCHEMBL29664665

NC(=O)O[C@H](CCN1CCOCC1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2B P41595 1/20 0.64
SIGMAR1 Q99720 1/20 0.64

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
SCHEMBL14305103 0.86 MEN1 (0.59) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2116255 0.85 ADRB1 (0.80) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL15962305 0.84 ADRB1 (0.61) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL1521158 0.83 ALDH1A1 (0.53) SIGMAR1
SCHEMBL2116002 0.83 ADRB1 (0.63) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2115962 0.82 ADRB1 (0.61) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2115746 0.81 ADRB1 (0.64) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2114151 0.81 ADRB1 (0.78) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL3411484 0.81 ADRB1 (0.78) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL22322972 0.81 ALDH1A1 (0.54)

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
CN-108200760-B Benzodiazepine derivatives as RSV inhibitors 英安塔制药有限公司 2022-04-01 CN disclosed