SCHEMBL7294

SCHEMBL7294

Cc1noc(-c2ccc(-c3ccc(C4(CC(=O)O)CC4)cc3)cc2)c1N(C)CCCc1c(F)cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
SCN9A Q15858 4/20 0.35
KMT2A Q03164 3/20 0.33
SCN5A Q14524 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL7632 0.91 KMT2A (0.38) P2RX7SCN9AKMT2ASCN5AL3MBTL1
SCHEMBL2605 0.89 CYP2C9 (0.41) P2RX7SCN9ASCN5AL3MBTL1LMNA
SCHEMBL7234 0.88 LPAR1 (0.34) P2RX7FFAR4MAPTLPAR1LPAR2
SCHEMBL2182 0.85 SCN9A (0.38) P2RX7SCN9AKMT2AL3MBTL1LMNA
SCHEMBL6150 0.85 BRD4 (0.36) HSD11B1FFAR4
SCHEMBL7297 0.85 SCD5 (0.35) KMT2AHSD11B1LMNALPAR1
SCHEMBL7148 0.84 ALDH1A1 (0.38) KMT2AFFAR4LMNAMAPTLPAR1
SCHEMBL7534 0.82 L3MBTL1 (0.34) L3MBTL1HSD11B1MAPTLPAR1SMN1; SMN2
SCHEMBL6082 0.81 HDAC1 (0.34) KMT2AFFAR4LMNAMAPTPPARG
SCHEMBL14624 0.80 LPAR1 (0.41) P2RX7SCN9AKMT2ASCN5ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP claimed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed