SCHEMBL5237752

SCHEMBL5237752

CCOc1cccc(-c2ccc(N3CCN(C(=O)O)C(CC=O)(NC)C3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
DHODH Q02127 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MGLL Q99685 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 1/20 0.38
SLC13A5 Q86YT5 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
CCKAR P32238 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ICMT O60725 2/20 0.35
SLC6A7 Q99884 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL5240799 0.91 NAAA (0.40) KMT2AMEN1RAB9AMGLLALDH1A1
SCHEMBL5236998 0.91 KMT2A (0.40) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5236555 0.87 USP2 (0.41) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL5238652 0.84 HSD17B10 (0.44) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5237980 0.84 CTSK (0.41) RXRARXRB
SCHEMBL5237744 0.83 RXRA (0.47) RXRARXRBDHODHKMT2AMEN1
SCHEMBL5234786 0.81 FFAR4 (0.44) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL5234847 0.81 KMT2A (0.40) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5235446 0.81 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL5238192 0.80 CYP2C19 (0.37) KMT2AMEN1NPC1RAB9ANPSR1

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