SCHEMBL28053445

SCHEMBL28053445

CN(C)c1cc(C(=O)N2CCCC(c3ccccc3CN)C2)ccn1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 20/20 0.75

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
SCHEMBL16446927 0.86 PROKR1 (1.00) PROKR1
SCHEMBL16445710 0.85 PROKR1 (1.00) PROKR1
SCHEMBL16446958 0.85 PROKR1 (1.00) PROKR1
SCHEMBL16445758 0.83 PROKR1 (1.00) PROKR1
SCHEMBL16445762 0.83 PROKR1 (1.00) PROKR1
SCHEMBL16445737 0.82 PROKR1 (1.00) PROKR1
SCHEMBL16445744 0.82 PROKR1 (1.00) PROKR1
SCHEMBL28053442 0.82 PROKR1 (0.77) PROKR1
SCHEMBL28053449 0.82 PROKR1 (0.75) PROKR1
SCHEMBL16446656 0.80 PROKR1 (1.00) PROKR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105452233-A Piperidine and azepane derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICALS CO 2016-03-30 CN claimed
CN-105452233-A Piperidine and azepane derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICALS CO 2016-03-30 CN disclosed