SCHEMBL5240799

SCHEMBL5240799

CNC1(CC=O)CN(c2ccc(-c3cccc(OC)c3)cc2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.40
FGFR1 P11362 1/20 0.40
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
USP2 O75604 4/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP2C9 P11712 3/20 0.38
HIF1A Q16665 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 3/20 0.38
TP53 P04637 2/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 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
SCHEMBL5237752 0.91 RXRA (0.44) RAB9AMGLLSMN1; SMN2MAPK1ALDH1A1
SCHEMBL5234786 0.90 FFAR4 (0.44) USP2CYP2C9SMN1; SMN2TP53CYP2C19
SCHEMBL5236555 0.88 USP2 (0.41) USP2HSD17B10CYP2C9HIF1ASMN1; SMN2
SCHEMBL5233074 0.87 L3MBTL1 (0.44) RAB9AMAPK1ALDH1A1MEN1KMT2A
SCHEMBL5238652 0.85 HSD17B10 (0.44) USP2HSD17B10CYP2C9HIF1ASMN1; SMN2
SCHEMBL5237980 0.85 CTSK (0.41)
SCHEMBL5236705 0.84 CD274 (0.41) NAAAFAAHMAPK1TP53CYP2D6
SCHEMBL5232205 0.84 SLC6A7 (0.41) MGLLSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL5236998 0.83 KMT2A (0.40) RAB9AHSD17B10SMN1; SMN2MAPK1TP53
SCHEMBL5234847 0.82 KMT2A (0.40) RAB9AHSD17B10SMN1; SMN2TP53ALDH1A1

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