SCHEMBL1727744

SCHEMBL1727744

CNC(CN(CC=O)C(=O)O)C1CCN(c2cc(-c3ccccc3)ccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
ITGB2 P05107 7/20 0.38
ICAM1 P05362 7/20 0.38
ITGAL P20701 7/20 0.38
OPRD1 P41143 1/20 0.38
CKS1B P61024 9/20 0.37
SKP1 P63208 9/20 0.37
SKP2 Q13309 9/20 0.37
THRB P10828 1/20 0.35
PDE2A O00408 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE3A Q14432 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
SCHEMBL1727921 0.88 KDM4E (0.43) THRBCYP2C9
SCHEMBL1728039 0.86 RXRA (0.42) RXRAITGB2ICAM1ITGALOPRD1
SCHEMBL1729264 0.84 HTR3A (0.41) CKS1BSKP1SKP2
SCHEMBL1730195 0.81 HCAR2 (0.46) CKS1BSKP1SKP2
SCHEMBL1727724 0.80 HSD11B1 (0.40) CKS1BSKP1SKP2
SCHEMBL1730156 0.80 DRD2 (0.41)
SCHEMBL1727929 0.80 HRH4 (0.42)
SCHEMBL1728165 0.80 KDM4E (0.45) PDE2A
SCHEMBL1728682 0.79 ACACB (0.40) CKS1BSKP1SKP2
SCHEMBL1727558 0.79 KCNH2 (0.40)

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