SCHEMBL1666880

SCHEMBL1666880

CC(=O)CN1CCNCC1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5156687 0.85 SLC6A9 (0.41) DPP4HTR2C
SCHEMBL28129002 0.85
SCHEMBL27841937 0.85
SCHEMBL28131298 0.85
SCHEMBL5900537 0.84 DPP4 (0.32) DPP4CHRM5CHRM3
Hydrochloric Acid SCHEMBL28060538 0.84 SLC6A9 (0.40) DPP4HTR2C
Hydrochloric Acid SCHEMBL3182976 0.82 DPP4 (0.34) DPP4CHRM5CHRM3KDM4EMAPT
Hydrochloric Acid SCHEMBL3182984 0.82 DPP4 (0.34) DPP4CHRM5CHRM3KDM4EMAPT
SCHEMBL16397368 0.81 HTR2A (0.32) HTR2AHTR2CCHRM5CHRM3
SCHEMBL21649396 0.81 CHRM5 (0.33) DPP4HTR2CCHRM5CHRM3SIGMAR1

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-2485728-A1 WNT PATHWAY ANTAGONISTS Siena Biotech S.p.a. (IT) 2012-08-15 EP disclosed
WO-2011042145-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2011-04-14 WO disclosed