SCHEMBL1729359

SCHEMBL1729359

CC(=O)c1ccc(N2CCC(CN(CC(N)=O)C(=O)O)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
HRH3 Q9Y5N1 9/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.40
AOC3 Q16853 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ENPP2 Q13822 1/20 0.39
TNF P01375 1/20 0.39
STAT3 P40763 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
TACR3 P29371 1/20 0.38

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
SCHEMBL1727978 0.90 KDM1A (0.43) KDM1AHRH3SMN1; SMN2NPC1RAB9A
SCHEMBL1730318 0.87 HRH3 (0.43) KDM1AHRH3SMN1; SMN2LMNAKMT2A
SCHEMBL1727687 0.85 PDE10A (0.43) KDM1ASMN1; SMN2LMNAKMT2APPARG
SCHEMBL1728906 0.85 DEGS1 (0.48) KDM1ASMN1; SMN2MAPTLMNATNF
SCHEMBL1729795 0.82 LMNA (0.60) SMN1; SMN2MAPTLMNAALDH1A1KMT2A
SCHEMBL1729679 0.82 CHRM4 (0.48)
SCHEMBL1727662 0.81 HTR1A (0.43) KDM1ALMNAAOC3
SCHEMBL1729166 0.80 LMNA (0.39) KDM1ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL19598739 0.78 HRH3 (0.54) KDM1AHRH3SMN1; SMN2NPC1RAB9A
SCHEMBL19598748 0.76 HRH3 (0.52) KDM1AHRH3SMN1; SMN2NPC1RAB9A

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