SCHEMBL5237945

SCHEMBL5237945

CCNC1(CC=O)CN(c2ccc(C)cn2)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DHFR P00374 1/20 0.35
PARP1 P09874 1/20 0.34
DRD2 P14416 3/20 0.33
DRD1 P21728 3/20 0.33
DRD5 P21918 3/20 0.33
DRD3 P35462 3/20 0.33
HDAC1 Q13547 2/20 0.33
P2RY12 Q9H244 1/20 0.33
AOC3 Q16853 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33

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
SCHEMBL5238526 0.90 PANK3 (0.39) PANK3PPARGPPARARAB9AL3MBTL1
SCHEMBL5233815 0.88 PANK3 (0.35) PANK3PPARGPPARARAB9AL3MBTL1
SCHEMBL5236239 0.83 SMN1; SMN2 (0.41) HPGDSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL5236318 0.82 KDM4E (0.38) HRH3MAPT
SCHEMBL5237938 0.80 PANK3 (0.41) PANK3PPARGPPARARAB9AL3MBTL1
SCHEMBL5236758 0.75 EGLN1 (0.40) PANK3RAB9ADRD2
SCHEMBL5237467 0.75 PANK3 (0.40) PANK3HDAC1AOC3CACNA1HKMT2A
SCHEMBL5239936 0.75 PKM (0.43) PARP1KMT2A
SCHEMBL5235197 0.74 HSD17B10 (0.45) HPGDCYP1A2CYP2C19HTR1AMAPT
SCHEMBL5238354 0.73 MAPT (0.40) HPGDSMN1; SMN2CYP1A2CYP2C19KMT2A

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