SCHEMBL1727558

SCHEMBL1727558

CNC(CN(CC=O)C(=O)O)C1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.40
DGAT1 O75907 5/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ADORA2A P29274 2/20 0.39
MGLL Q99685 2/20 0.38
DEGS1 O15121 1/20 0.37
RAB9A P51151 1/20 0.37
MCHR1 Q99705 6/20 0.36
EGLN1 Q9GZT9 1/20 0.36
AOC3 Q16853 1/20 0.35
CNR2 P34972 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
SCHEMBL1729059 0.86 DGAT1 (0.41) KCNH2DGAT1KDM4EMAPTADORA2A
SCHEMBL1729779 0.84 SMO (0.34) KCNH2DGAT1KDM4EMAPTADORA2A
SCHEMBL1728999 0.84 MGLL (0.41) KCNH2DGAT1ADORA2AMGLLRAB9A
SCHEMBL1727577 0.83 PANK3 (0.38) MAPTRAB9A
SCHEMBL1729370 0.83 HRH3 (0.43) KCNH2DGAT1KDM4EADORA2A
SCHEMBL1729308 0.81 HRH3 (0.44) KCNH2DGAT1MCHR1
SCHEMBL1727921 0.81 KDM4E (0.43) KDM4EMAPT
SCHEMBL1729264 0.80 HTR3A (0.41) KCNH2DGAT1
SCHEMBL1727744 0.79 RXRA (0.43)
SCHEMBL1730195 0.79 HCAR2 (0.46) MAPTRAB9A

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