SCHEMBL5232200

SCHEMBL5232200

CNC1(C(C)=O)CN(c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.42
KIF11 P52732 1/20 0.40
S1PR5 Q9H228 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 4/20 0.39
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.38
MGLL Q99685 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37

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 0.90 CA12 (0.41) SLC6A7SMN1; SMN2MAPTLMNAHTT
SCHEMBL5232329 0.89 LMNA (0.48) SMN1; SMN2MAPTLMNAPOLBHTT
SCHEMBL5234118 0.87 DHODH (0.41) SLC6A7SMN1; SMN2MAPTHTTHPGD
SCHEMBL5237326 0.86 CA2 (0.43) SMN1; SMN2MAPTLMNAHTTMEN1
SCHEMBL5236546 0.86 USP2 (0.46) SLC6A7SMN1; SMN2MAPTPOLBHPGD
SCHEMBL5237020 0.86 MGLL (0.47) SLC6A7SMN1; SMN2MAPTLMNAHTT
SCHEMBL5237974 0.84 RXRA (0.44) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL5238647 0.83 USP2 (0.50) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL5240792 0.83 NAAA (0.42) SMN1; SMN2NPC1MAPTLMNAHPGD
SCHEMBL5232202 0.83 RAB9A (0.40) SMN1; SMN2NPC1MAPTLMNAPOLB

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