SCHEMBL1729388

SCHEMBL1729388

O=C(O)NCC1CCN(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.59
CHRM4 P08173 3/20 0.59
ADRB1 P08588 1/20 0.51
FFAR1 O14842 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
CETP P11597 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
DPP4 P27487 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48

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
SCHEMBL1728821 0.90 CHRM4 (0.68) FFAR4CHRM4ADRB1FFAR1HRH3
SCHEMBL3265679 0.83 CHRM4 (0.50) FFAR4CHRM4ADRB1FFAR1HRH3
SCHEMBL1728740 0.82 LMNA (0.61) CHRM4CETPCHRM2CHRM1CHRM3
SCHEMBL2005045 0.82 FFAR4 (0.56) FFAR4CHRM4ADRB1FFAR1HRH3
SCHEMBL31537419 0.81 ADRB1 (0.63) FFAR4CHRM4ADRB1FFAR1HRH3
SCHEMBL3928983 0.81 FFAR4 (0.55) FFAR4CHRM4ADRB1FFAR1HRH3
SCHEMBL7130750 0.79 ADRB1 (0.59) FFAR4CHRM4ADRB1FFAR1HRH3
SCHEMBL22776419 0.78 ALDH1A1 (0.52) KDM4EALDH1A1CKS1BSKP1SKP2
SCHEMBL1728756 0.77 CHRM4 (0.59) CHRM4ADRB1CETPCHRM2CHRM3
SCHEMBL7134998 0.77 KDM4E (0.67) FFAR4CHRM4ADRB1FFAR1HRH3

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