SCHEMBL28053451

SCHEMBL28053451

CCc1cc(C(=O)N2CCCC(c3cccc(OC)c3)C2)ccn1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 16/20 0.73
MYC P01106 1/20 0.58
PDE2A O00408 1/20 0.57
PDE3A Q14432 1/20 0.57
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
HIF1A Q16665 1/20 0.55
DRD2 P14416 1/20 0.53

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
SCHEMBL16446284 0.84 PROKR1 (1.00) PROKR1
SCHEMBL16446660 0.81 PROKR1 (1.00) PROKR1
SCHEMBL16446206 0.81 PROKR1 (1.00) PROKR1
SCHEMBL28053519 0.81 PROKR1 (0.79) PROKR1
SCHEMBL16446277 0.81 PROKR1 (1.00) PROKR1
SCHEMBL21359167 0.77 PROKR1 (0.62) PROKR1MYCALDH1A1LMNAHPGD
SCHEMBL7316755 0.77 DRD2 (0.65) PROKR1MYCALDH1A1LMNAHPGD
SCHEMBL16445733 0.77 PROKR1 (1.00) PROKR1
SCHEMBL16446194 0.75 PROKR1 (1.00) PROKR1
SCHEMBL28053530 0.75 PROKR1 (0.76) 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