SCHEMBL5237326

SCHEMBL5237326

CNC1(C(C)=O)CN(c2ccc(C(F)(F)F)cc2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
AKR1C3 P42330 1/20 0.41
NOTUM Q6P988 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
PPARD Q03181 3/20 0.38
DEGS1 O15121 2/20 0.38
PPARA Q07869 2/20 0.38
MMP2 P08253 2/20 0.38
MMP13 P45452 2/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
ME2 P23368 1/20 0.38
ME1 P48163 1/20 0.38
ME3 Q16798 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
SCHEMBL5233779 0.97 CA12 (0.41) CA2CA12CA9AKR1C3NOTUM
SCHEMBL5232288 0.86 MAPT (0.41) CA2CA12CA9AKR1C3NOTUM
SCHEMBL5232329 0.86 LMNA (0.48) NOTUMMAPTSMN1; SMN2MEN1TSHR
SCHEMBL5232200 0.86 SLC6A7 (0.42) MAPTSMN1; SMN2MEN1TSHRHTT
SCHEMBL5239779 0.85 MAPT (0.40) AKR1C3MAPTSMN1; SMN2MMP2MMP13
SCHEMBL5238186 0.85 CYP2C19 (0.43) MAPTMEN1TSHRHTTKMT2A
SCHEMBL5230475 0.84 CYP2C9 (0.44) MEN1TSHRKMT2A
SCHEMBL5239092 0.84 MEN1 (0.41) CA2CA12CA9AKR1C3NOTUM
SCHEMBL5234836 0.83 MEN1 (0.43) CA2CA12CA9MAPTSMN1; SMN2
SCHEMBL5236546 0.83 USP2 (0.46) MAPTSMN1; SMN2MEN1TSHRKMT2A

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-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed