SCHEMBL1729341

SCHEMBL1729341

CNC(=O)CN(CCC1(F)CCN(c2ccc3ccccc3n2)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HRH3 Q9Y5N1 5/20 0.41
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
CYP1A2 P05177 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
THPO P40225 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
SORD Q00796 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 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
SCHEMBL1727715 0.89 KDM4E (0.44) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL1728164 0.80 KDM4E (0.45) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL241458 0.77 DRD3 (0.41) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL1727897 0.77 KDM4E (0.47) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL241135 0.75 SORD (0.53) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL1727690 0.74 POLB (0.44) KDM4EALDH1A1CYP3A4CYP1A2SMN1; SMN2
SCHEMBL5779091 0.73 KDM4E (0.50) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL1729344 0.73 KDM4E (0.44) KDM4EALDH1A1CYP3A4HSD17B10HRH3
SCHEMBL1727647 0.73 MAP4K4 (0.40) PDE10APDE2A
SCHEMBL239857 0.72 HRH3 (0.46) KDM4EALDH1A1CYP3A4HSD17B10HRH3

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