SCHEMBL31151995

SCHEMBL31151995

COc1cc2c(cc1O)NC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CN1C2=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALPL P05186 6/20 0.33
ACHE P22303 2/20 0.32
HTR2B P41595 3/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL31151912 1.00 ALPL (0.33) ALPLACHEHTR2BHTR2AHTR2C
SCHEMBL31151970 0.86 ACHE (0.37) ALPLACHEHTR2BHTR2AHTR2C
SCHEMBL31151942 0.86 ACHE (0.37) ALPLACHEHTR2BHTR2AHTR2C
SCHEMBL31151978 0.86 ACHE (0.37) ALPLACHEHTR2BHTR2AHTR2C
SCHEMBL23837196 0.83 EGFR (0.35) ACHEHTR2BHTR2AHTR2CEGFR
SCHEMBL31152007 0.82 PDE4B (0.42) KMT2A
SCHEMBL31151953 0.82 PDE4B (0.42) KMT2A
SCHEMBL3893507 0.80 ACHE (0.38) ALPLACHEHTR2BHTR2AHTR2C
SCHEMBL11088844 0.80 ACHE (0.38) ALPLACHEHTR2BHTR2AHTR2C
SCHEMBL31151905 0.79 ACHE (0.37) ALPLACHEHTR2BHTR2AHTR2C

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-2024235121-A1 FUSED RING COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 WO disclosed