SCHEMBL1728042

SCHEMBL1728042

NC(=O)CN(CCC1CCN(c2cc(-c3ccccc3)ccn2)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
ITGB2 P05107 8/20 0.41
ICAM1 P05362 8/20 0.41
ITGAL P20701 8/20 0.41
AOC3 Q16853 1/20 0.41
OPRD1 P41143 1/20 0.40
CHRM4 P08173 3/20 0.40
MCHR1 Q99705 1/20 0.39
CKS1B P61024 3/20 0.39
SKP1 P63208 3/20 0.39
SKP2 Q13309 3/20 0.39
USP30 Q70CQ3 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
SCHEMBL1727745 0.87 RXRA (0.46) RXRAITGB2ICAM1ITGALCHRM4
SCHEMBL1728015 0.84 FFAR4 (0.52) OPRD1CHRM4USP30
SCHEMBL1727572 0.83 CNR1 (0.41) AOC3CKS1BSKP1SKP2
SCHEMBL1730249 0.83 HTR3A (0.42) AOC3CHRM4CKS1BSKP1SKP2
SCHEMBL1727652 0.81 SCD (0.42)
SCHEMBL1729202 0.80 KDM4E (0.46)
SCHEMBL1729231 0.80 KDM4E (0.40) AOC3CHRM4MCHR1
SCHEMBL1729037 0.79 HCAR2 (0.46) CKS1BSKP1SKP2
SCHEMBL1729384 0.79 DPP4 (0.44)
SCHEMBL1727953 0.78 PDE10A (0.45)

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