SCHEMBL22069769

SCHEMBL22069769

CCCCN1CCC(=O)CC1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCD Q05655 4/20 0.35
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
CYP19A1 P11511 1/20 0.32
PIK3CD O00329 1/20 0.32
NR1I2 O75469 1/20 0.32
ALOX5 P09917 2/20 0.30
GBA2 Q9HCG7 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL22069798 0.90 PIK3CD (0.33) CYP19A1PIK3CD
SCHEMBL22069817 0.82 PIK3CD (0.33) PIK3CDPOLB
SCHEMBL22069823 0.75 PIK3CD (0.36) PIK3CD
SCHEMBL22069771 0.75 GAA (0.41) GAAKCNH2SMN1; SMN2OPRM1
SCHEMBL22069793 0.74 FAAH (0.33) PIK3CDCYP3A4
SCHEMBL22069812 0.72 OPRK1 (0.37) OPRM1
SCHEMBL22283823 0.71 ALOX5 (0.40) PRKCDCYP19A1ALOX5OPRM1
SCHEMBL22069815 0.70 PIK3CD (0.33) PIK3CD
SCHEMBL19684428 0.69 S1PR1 (0.39) GBA2CYP3A4CYP2D6KCNH2POLB
SCHEMBL29296480 0.69 GBA2 (0.39) PRKCDGAAGBA2

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
EP-3666757-A1 PROCESS FOR PREPARING A PIPERIDIN-4-ONE Karl-Franzens-Universität Graz (AT) 2020-06-17 EP claimed
EP-3666757-A1 PROCESS FOR PREPARING A PIPERIDIN-4-ONE Karl-Franzens-Universität Graz (AT) 2020-06-17 EP disclosed