SCHEMBL13631108

SCHEMBL13631108

CC(C)NC1CCCN(C(=O)OCc2ccccc2)C1C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.55
PREP P48147 5/20 0.53
CTRB1 P17538 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
GFER P55789 1/20 0.49

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
SCHEMBL13434440 1.00 ACE2 (0.55) ACE2PREPCTRB1NPSR1TSHR
SCHEMBL13434443 1.00 ACE2 (0.55) ACE2PREPCTRB1NPSR1TSHR
SCHEMBL3070684 0.88 PREP (0.53) ACE2PREPCTRB1NPSR1TSHR
SCHEMBL3070690 0.88 PREP (0.53) ACE2PREPCTRB1NPSR1TSHR
SCHEMBL3070688 0.88 PREP (0.53) ACE2PREPCTRB1NPSR1TSHR
SCHEMBL16789713 0.84 PREP (0.49) ACE2PREPCTRB1NPSR1TSHR
SCHEMBL10310512 0.82 PREP (0.56) ACE2PREPCTRB1NPSR1TSHR
SCHEMBL3011829 0.82 PREP (0.56) ACE2PREPCTRB1NPSR1TSHR
SCHEMBL3070355 0.81 PDE4B (0.49) ACE2PREPCTRB1NPSR1TSHR
SCHEMBL3070354 0.81 PDE4B (0.49) ACE2PREPCTRB1NPSR1TSHR

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
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed