SCHEMBL31151940

SCHEMBL31151940

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
EGFR P00533 1/20 0.34
HTR2B P41595 5/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTT P42858 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
FFAR1 O14842 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL31151888 1.00 ACHE (0.35) ACHEEGFRHTR2BHTR2AHTR2C
SCHEMBL31151905 0.86 ACHE (0.37) ACHEEGFRHTR2BHTR2AHTR2C
SCHEMBL31151895 0.86 ACHE (0.37) ACHEEGFRHTR2BHTR2AHTR2C
SCHEMBL11088844 0.84 ACHE (0.38) ACHEEGFRHTR2BHTR2AHTR2C
SCHEMBL3893507 0.84 ACHE (0.38) ACHEEGFRHTR2BHTR2AHTR2C
SCHEMBL31151942 0.84 ACHE (0.37) ACHEEGFRHTR2BHTR2AHTR2C
SCHEMBL31151970 0.84 ACHE (0.37) ACHEEGFRHTR2BHTR2AHTR2C
SCHEMBL31151978 0.84 ACHE (0.37) ACHEEGFRHTR2BHTR2AHTR2C
SCHEMBL31151955 0.80 PDE4B (0.41) HTR2BHTR2AHTR2CFFAR1ALDH1A1
SCHEMBL31151995 0.79 ALPL (0.33) ACHEEGFRHTR2BHTR2AHTR2C

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