SCHEMBL8545758

SCHEMBL8545758

O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
HSD11B1 P28845 2/20 0.40
DPP4 P27487 6/20 0.39
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HDAC2 Q92769 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
PREP P48147 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
EED O75530 1/20 0.35
FAP Q12884 1/20 0.35

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
Hydrochloric Acid SCHEMBL6167839 0.98 HPGD (0.40) HPGDHSD11B1DPP4ALDH1A1TSHR
SCHEMBL6138922 0.82 DPP4 (0.55) DPP4PREPFAP
SCHEMBL10379372 0.76 DPP4 (0.53) HPGDDPP4HDAC2FAP
SCHEMBL12408422 0.76 CYP2D6 (0.52) TSHRPRMT5WDR77
SCHEMBL5480201 0.76 CYP2D6 (0.52) TSHRPRMT5WDR77
SCHEMBL14605825 0.76 CYP2D6 (0.52) TSHRPRMT5WDR77
SCHEMBL497280 0.76 CYP2D6 (0.52) TSHRPRMT5WDR77
SCHEMBL4550519 0.76 CYP2D6 (0.52) TSHRPRMT5WDR77
SCHEMBL22418410 0.76 CYP2D6 (0.52) TSHRPRMT5WDR77
SCHEMBL8452004 0.76 CYP2D6 (0.52) TSHRPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618193-B1 Nitrogen containing bicyclic derivatives as prolyl-endopeptidase inhibitors ADIR (FR) 1998-10-21 EP disclosed
US-5506237-A PROLYL-ENDOPEPTIDASE INHIBITOR; USEFUL FOR TREATING OR PREVENTING MEMORY LOSS DUE TO AGING, ANXIETY AND DEPRESSION ADIR ET COMPAGNIE (FR) 1996-04-09 US disclosed
EP-0618193-A1 Nitrogen containing bicyclic derivatives as prolyl-endopeptidase inhibitors ADIR ET COMPAGNIE (FR) 1994-10-05 EP disclosed