SCHEMBL22907129

SCHEMBL22907129

CCN(CC)CCC1CCN(c2ncc(Br)cc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 18/20 0.38
ACACB O00763 1/20 0.34
ENPP1 P22413 1/20 0.34

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
SCHEMBL22907106 0.86 OPRK1 (0.37) OPRK1
SCHEMBL24670690 0.78 PDE10A (0.48) OPRK1ACACB
SCHEMBL30066350 0.78 PDE10A (0.48) OPRK1ACACB
SCHEMBL22907440 0.75 OPRK1 (0.45) OPRK1ACACB
SCHEMBL31583655 0.74 OPRK1 (0.44) OPRK1ACACB
SCHEMBL22907270 0.74 OPRK1 (0.44) OPRK1ACACB
SCHEMBL27098930 0.73 OPRK1 (0.41) OPRK1ACACB
SCHEMBL24881373 0.73 OPRK1 (0.44) OPRK1ACACB
SCHEMBL17316555 0.71 HTT (0.41) OPRK1ACACB
SCHEMBL20354132 0.71 OPRK1 (0.40) OPRK1ACACB

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-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 WO disclosed