SCHEMBL27799490

SCHEMBL27799490

BrCCCCCCOCCc1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
HPGD P15428 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
NAAA Q02083 1/20 0.32
GLS O94925 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL9508086 0.93 TAAR1 (0.43) TAAR1DRD2DRD3HPGDPTGES
SCHEMBL28338235 0.86 TAAR1 (0.48) TAAR1DRD2DRD3HPGDPTGES
SCHEMBL8945514 0.85 TAAR1 (0.36) TAAR1DRD2DRD3HPGD
SCHEMBL15412417 0.83 DRD2 (0.47) TAAR1DRD2DRD3HPGDPTGES
SCHEMBL23094089 0.82 TAAR1 (0.52) TAAR1DRD2DRD3NAAAGLS
SCHEMBL16760660 0.82 TAAR1 (0.52) TAAR1DRD2DRD3NAAAGLS
SCHEMBL3277114 0.82 TAAR1 (0.52) TAAR1DRD2DRD3NAAAGLS
SCHEMBL19578597 0.82 TAAR1 (0.52) TAAR1DRD2DRD3NAAAGLS
SCHEMBL3284129 0.82 TAAR1 (0.52) TAAR1DRD2DRD3NAAAGLS
SCHEMBL2382082 0.82 TAAR1 (0.52) TAAR1DRD2DRD3NAAAGLS

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111180742-B Microbial electrode, preparation method thereof and microbial fuel cell 中国科学院化学研究所 2021-06-15 CN disclosed
CN-110591693-B Fluorescent switch system, preparation method and application 中国科学院化学研究所 2020-07-21 CN disclosed
CN-111180742-A Microbial electrode, preparation method thereof and microbial fuel cell 中国科学院化学研究所 2020-05-19 CN disclosed
CN-110591693-A Fluorescent switch system, preparation method and application 中国科学院化学研究所 2019-12-20 CN disclosed
CN-106947089-B Super molecular compound and preparation method thereof and the method for distinguishing microorganism 中国科学院化学研究所 2019-08-20 CN disclosed
CN-101948566-B Multifunctional polymer for resisting fungi and cancers and performing cell imaging and preparation method thereof CHINESE ACAD INST CHEMISTRY 2012-09-19 CN disclosed
CN-101948566-A Multifunctional polymer for resisting fungi and cancers and performing cell imaging and preparation method thereof CHINESE ACAD INST CHEMISTRY 2011-01-19 CN disclosed