SCHEMBL1729773

SCHEMBL1729773

COc1ccc2nc(N3CCC(C(CN(CC=O)C(=O)O)NCC4CC4)CC3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
ACACB O00763 2/20 0.40
MCHR1 Q99705 3/20 0.37
MAPT P10636 8/20 0.36
TP53 P04637 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.34
ACACA Q13085 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1727775 0.93 HRH3 (0.46) HRH3ACACBMCHR1MAPTTP53
SCHEMBL1728927 0.90 HRH3 (0.47) HRH3ACACBMCHR1MAPTTP53
SCHEMBL1729221 0.85 HRH3 (0.48) HRH3ACACBMCHR1MAPTTP53
SCHEMBL1729308 0.78 HRH3 (0.44) HRH3ACACBMCHR1KCNH2
SCHEMBL1730142 0.78 ABL1 (0.37) HRH3MCHR1MAPTTP53ALDH1A1
SCHEMBL1728165 0.76 KDM4E (0.45) HRH3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1729776 0.76 HRH3 (0.47) HRH3ACACBMAPTNAPEPLDALDH1A1
SCHEMBL1729370 0.75 HRH3 (0.43) HRH3ACACBALDH1A1KDM4EKCNH2
SCHEMBL1727901 0.74 SETDB1 (0.38) HRH3MAPTTP53ALDH1A1KMT2A
SCHEMBL1727774 0.73 HRH3 (0.48) HRH3ACACBMCHR1MAPTALDH1A1

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