SCHEMBL22728401

SCHEMBL22728401

CC(c1cc(F)cc(F)c1)C1(C#N)CCNCC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 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
Hydrochloric Acid SCHEMBL22719327 0.98
SCHEMBL22719169 0.84 SLC6A2 (0.35)
Hydrochloric Acid SCHEMBL22719200 0.82
SCHEMBL26081109 0.77 HTR2C (0.33) HTR2C
SCHEMBL26081114 0.77 HTR2C (0.33) HTR2C
SCHEMBL22728393 0.77 SLC6A2 (0.34) HTR2C
Hydrochloric Acid SCHEMBL29453729 0.76 SLC6A2 (0.33) HTR2C
Hydrochloric Acid SCHEMBL22719322 0.76 SLC6A2 (0.33) HTR2C
SCHEMBL22728384 0.75 HTR2C (0.36) HTR2C
Hydrochloric Acid SCHEMBL22719282 0.74 HTR2C (0.38) HTR2C

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-2020243027-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-12-03 WO disclosed