SCHEMBL23031763

SCHEMBL23031763

N/C(=C\NCCF)COCc1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.38
▸ CCR5 P51681 4/20 0.34
▸ AGER Q15109 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 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
SCHEMBL23031761 0.84 IDO1 (0.36) IDO1CCR5AGERHTR2ATAAR1
SCHEMBL23032087 0.83 LOXL2 (0.38) IDO1CCR5CHRM3
SCHEMBL23032086 0.80 IDO1 (0.32) IDO1AGER
SCHEMBL23032003 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL23031870 0.76 IDO1 (0.47) IDO1CCR5AGERHTR2ATAAR1
SCHEMBL23032002 0.69 AGER (0.36) IDO1AGER
SCHEMBL23032084 0.68 LOXL2 (0.36) IDO1CCR5ALDH1A1CHRM3
SCHEMBL10458623 0.66 IDO1 (0.50) IDO1HTR2ATAAR1CHRM3RXRA
SCHEMBL649020 0.65 IDO1 (0.64) IDO1HTR2ATAAR1RXRARXRB
SCHEMBL9342895 0.65 IDO1 (0.64) IDO1HTR2ATAAR1RXRARXRB

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-2021034924-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. (US) 2021-02-25 — — WO disclosed
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