SCHEMBL1727745

SCHEMBL1727745

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.46
ITGB2 P05107 7/20 0.43
ICAM1 P05362 7/20 0.43
ITGAL P20701 7/20 0.43
CHRM4 P08173 3/20 0.42
CKS1B P61024 4/20 0.41
SKP1 P63208 4/20 0.41
SKP2 Q13309 4/20 0.41
MCHR1 Q99705 3/20 0.41

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
SCHEMBL1728042 0.87 RXRA (0.46) RXRAITGB2ICAM1ITGALCHRM4
SCHEMBL1727922 0.87 DRD2 (0.46) CHRM4
SCHEMBL1729260 0.84 HTR3A (0.42) CHRM4CKS1BSKP1SKP2
SCHEMBL1727927 0.80 HRH4 (0.44)
SCHEMBL1730192 0.80 CKS1B (0.46) CKS1BSKP1SKP2
SCHEMBL1728164 0.80 KDM4E (0.45)
SCHEMBL1727727 0.79 MAP4K4 (0.40) CKS1BSKP1SKP2
SCHEMBL1730154 0.79 DRD2 (0.42)
SCHEMBL1727560 0.79 KCNH2 (0.42) CHRM4CKS1BSKP1SKP2MCHR1
SCHEMBL1728883 0.79 MAP4K4 (0.44) CKS1BSKP1SKP2

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