SCHEMBL22728386

SCHEMBL22728386

CCC(C#N)(CC)Cc1ccc(F)cc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 14/20 0.36
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ DRD2 P14416 2/20 0.32

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
SCHEMBL22728309 0.83 KDM4C (0.35) OPRL1PTGDR2
SCHEMBL22728362 0.80 SLC6A4 (0.34) OPRL1SLC6A4SLC6A2DRD2
SCHEMBL22728334 0.79 RIPK1 (0.41) SLC6A4SLC6A2
SCHEMBL22728339 0.75 IDO1 (0.46) SLC6A4SLC6A2
SCHEMBL25926399 0.75 PTGDR2 (0.42) OPRL1SLC6A4SLC6A2PTGDR2DRD2
SCHEMBL22719380 0.69 HTR1A (0.39) OPRL1SLC6A4SLC6A2PTGDR2
SCHEMBL22728291 0.69 LMNA (0.37) —
SCHEMBL29453786 0.69 HTR1A (0.39) OPRL1SLC6A4SLC6A2PTGDR2
SCHEMBL22719326 0.69 PTGDR2 (0.42) OPRL1SLC6A4SLC6A2PTGDR2
SCHEMBL29453732 0.69 PTGDR2 (0.42) OPRL1SLC6A4SLC6A2PTGDR2

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
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