SCHEMBL1727652

SCHEMBL1727652

NC(=O)CN(CCC1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.42
CHRNA7 P36544 4/20 0.42
HTR3A P46098 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 1/20 0.40
PAX8 Q06710 1/20 0.40
LCAT P04180 2/20 0.39

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
SCHEMBL1727769 0.90 CHRNA7 (0.43) SCDCHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL1727572 0.86 CNR1 (0.41)
SCHEMBL1730301 0.85 LMNA (0.38) SCDMEN1KMT2A
SCHEMBL1729770 0.85 LMNA (0.38) SCDMEN1KMT2A
SCHEMBL1727953 0.81 PDE10A (0.45) HTR3A
SCHEMBL1728042 0.81 RXRA (0.46)
SCHEMBL1728786 0.79 HTR1A (0.42) NPC1RAB9A
SCHEMBL1729037 0.78 HCAR2 (0.46) HTR3ANPC1RAB9A
SCHEMBL1730249 0.78 HTR3A (0.42) HTR3A
SCHEMBL1730164 0.77 DEGS1 (0.47)

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed