SCHEMBL22152020

SCHEMBL22152020

C#CCOCc1cc2ccc(Br)cc2n1C[C@H](C)CO

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KDM1A O60341 1/20 0.30
CCR9 P51686 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
SCHEMBL22128266 1.00 OXER1 (0.33) OXER1HTR2AHTR2CKDM1ACCR9
SCHEMBL22128269 1.00 OXER1 (0.33) OXER1HTR2AHTR2CKDM1ACCR9
SCHEMBL22122254 0.85 OXER1 (0.32) OXER1
SCHEMBL22122255 0.85 OXER1 (0.32) OXER1
SCHEMBL22152021 0.85 OXER1 (0.32) OXER1
SCHEMBL22128242 0.78
SCHEMBL22128243 0.78
SCHEMBL22152183 0.72 HTR2A (0.35) OXER1HTR2AHTR2CCCR9
SCHEMBL22152179 0.69 BACE1 (0.43) CCR9
SCHEMBL22122426 0.67 LMNA (0.49)

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-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed