SCHEMBL29040370

SCHEMBL29040370

CCCCCC(C1=NCCO1)C1=NCCO1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
OPRM1 P35372 1/20 0.30

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
SCHEMBL27969543 0.98 ADRA2A (0.33) ADRA2AADRA2BADRA2C
SCHEMBL22996583 0.88 ADRA2A (0.34) ADRA2AADRA2BADRA2C
SCHEMBL377055 0.86 ADRA2A (0.36) ADRA2AADRA2BADRA2C
SCHEMBL21034047 0.84 LMNA (0.31) ADRA2AADRA2BADRA2C
SCHEMBL27678236 0.84 OPRM1 (0.33) ADRA2AADRA2BADRA2COPRM1
SCHEMBL21706532 0.84 LMNA (0.31) ADRA2AADRA2BADRA2C
SCHEMBL27696754 0.82 ADH1B (0.33) ADRA2AADRA2BADRA2COPRM1
SCHEMBL23466952 0.82 ADH1B (0.33) ADRA2AADRA2BADRA2COPRM1
SCHEMBL30670322 0.82 ADH1B (0.33) ADRA2AADRA2BADRA2COPRM1
SCHEMBL21706413 0.81 NR1I2 (0.35)

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
CN-115260467-A Preparation method and application of aliphatic-aromatic copolyester 旭科新材料(山东)有限责任公司 2022-11-01 CN claimed
CN-115260467-A Preparation method and application of aliphatic-aromatic copolyester 旭科新材料(山东)有限责任公司 2022-11-01 CN disclosed