SCHEMBL7807799

SCHEMBL7807799

O=CCC(CC(=O)N1CCc2ccccc2C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
HTT P42858 4/20 0.48
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 3/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.43
HSP90AA1 P07900 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL7815384 0.87 HTT (0.53) DPP8DPP7HTTPOLBNPSR1
SCHEMBL8798608 0.85 TACR2 (0.54)
SCHEMBL7815510 0.79 GRM7 (0.47) HTTPOLBNPSR1RAB9AKMT2A
SCHEMBL7811276 0.77 TACR2 (0.59)
SCHEMBL7873296 0.73 TACR2 (0.63)
SCHEMBL8911597 0.72 PRKCZ (0.48) HTTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7802831 0.72 NOTUM (0.38) RAB9AKMT2AL3MBTL1
SCHEMBL4471203 0.71 TNF (0.48) HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL8244656 0.70 DPP8 (0.68) DPP8DPP7POLBRAB9AKMT2A
SCHEMBL3103829 0.70 DPP8 (0.68) DPP8DPP7POLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773929-B1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2001-10-31 EP disclosed
US-5654316-A Piperidine derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1997-08-05 US disclosed
EP-0773929-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1997-05-21 EP disclosed
WO-1996039386-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed