SCHEMBL5237938

SCHEMBL5237938

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.41
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHFR P00374 1/20 0.36
PARP1 P09874 1/20 0.36
P2RY12 Q9H244 1/20 0.35
HDAC1 Q13547 2/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AOC3 Q16853 1/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL5238522 0.88 PANK3 (0.43) PANK3PPARGPPARARAB9AL3MBTL1
SCHEMBL5233805 0.88 PANK3 (0.39) PANK3PPARGPPARARAB9AL3MBTL1
SCHEMBL5236231 0.82 MAPT (0.43) PANK3HPGDSMN1; SMN2KMT2ACYP1A2
SCHEMBL5236309 0.81 KDM4E (0.40) HTR1AHTR2AMAPTHRH3
SCHEMBL5237945 0.80 PANK3 (0.37) PANK3PPARGPPARARAB9AL3MBTL1
SCHEMBL5237457 0.74 PANK3 (0.41) PANK3HDAC1AOC3KMT2AMEN1
SCHEMBL5238526 0.73 PANK3 (0.39) PANK3PPARGPPARARAB9AL3MBTL1
SCHEMBL5236755 0.72 MGLL (0.41) PANK3RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL5239930 0.72 PKM (0.44) PARP1KMT2A
SCHEMBL5233583 0.72 CKS1B (0.41) HPGDSMN1; SMN2KMT2AMAPTMEN1

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