SCHEMBL25974440

SCHEMBL25974440

Cc1c(F)cc(F)cc1OCCOC(F)F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.32
AVPR1A P37288 2/20 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
SCHEMBL25974441 0.81 RET (0.34) OXTRAVPR1A
SCHEMBL25974321 0.77 MKNK2 (0.35) OXTRAVPR1A
SCHEMBL26030890 0.77 MKNK2 (0.36) OXTR
SCHEMBL25974427 0.76 MKNK2 (0.37) OXTRAVPR1A
SCHEMBL25974309 0.74 PDE2A (0.35) OXTRAVPR1A
SCHEMBL18306468 0.74 L3MBTL1 (0.39) OXTR
SCHEMBL26030886 0.74 ALDH1A1 (0.40) OXTR
SCHEMBL25974447 0.72 LMNA (0.39) OXTR
SCHEMBL25974449 0.69 IL1B (0.37) OXTR
SCHEMBL13086666 0.68 TUBB1 (0.39) OXTRAVPR1A

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-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed