SCHEMBL7297

SCHEMBL7297

Cc1noc(-c2ccc(-c3ccc(C4(CC(=O)O)CC4)cc3)cc2)c1N(C)CCCc1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LPAR1 Q92633 2/20 0.34
HSD11B1 P28845 1/20 0.34
ALOX5 P09917 1/20 0.33
ALOX5AP P20292 1/20 0.33
BRD4 O60885 2/20 0.33
CHRM4 P08173 2/20 0.33
ADRA2C P18825 2/20 0.33
TAAR1 Q96RJ0 1/20 0.32
SLC26A6 Q9BXS9 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 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
SCHEMBL7572 0.91 SLC26A6 (0.36) SCD5LMNATSHRNPSR1TDP1
SCHEMBL6150 0.90 BRD4 (0.36) HSD11B1BRD4TAAR1
SCHEMBL6082 0.90 HDAC1 (0.34) LMNAKMT2AOPRM1OPRL1CYP2C9
SCHEMBL2292 0.88 CYP2C9 (0.42) SCD5LMNATSHRNPSR1TDP1
SCHEMBL7466 0.85 LPAR1 (0.47) SCD5LPAR1ALOX5ALOX5APBRD4
SCHEMBL7148 0.85 ALDH1A1 (0.38) LMNATSHRLPAR1ALOX5ALOX5AP
SCHEMBL7294 0.85 P2RX7 (0.36) LMNALPAR1HSD11B1KMT2A
SCHEMBL2284 0.85 NPSR1 (0.43) SCD5LMNATSHRNPSR1TDP1
SCHEMBL6613 0.83 FFAR4 (0.35) LMNALPAR1HSD11B1ALOX5KMT2A
SCHEMBL7534 0.82 L3MBTL1 (0.34) TSHRLPAR1HSD11B1OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
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