SCHEMBL6694

SCHEMBL6694

CCOC(=O)N(c1ccccc1)c1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.50
CYP2C9 P11712 2/20 0.50
ABCC3 O15438 1/20 0.50
ABCC4 O15439 1/20 0.50
ABCB11 O95342 1/20 0.50
CYP2C8 P10632 1/20 0.50
ABCB4 P21439 1/20 0.50
ABCC2 Q92887 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
OPRM1 P35372 5/20 0.37
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HRH1 P35367 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
SCHEMBL2636702 0.97 CYP2C9 (0.47) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2635820 0.96 CYP2C9 (0.47) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2761360 0.94 LPAR1 (0.45) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL7595 0.94 OPRM1 (0.44) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2636705 0.93 LPAR1 (0.45) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2636091 0.92 LPAR1 (0.45) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2635812 0.91 OPRM1 (0.43) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2636433 0.91 LPAR1 (0.45) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2636363 0.91 LPAR1 (0.46) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2636832 0.91 LPAR1 (0.47) LPAR1CYP2C9ABCC3ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648726-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP claimed
WO-2012078805-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO claimed
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP claimed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO claimed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO claimed
CN-103596566-A Polycyclic LPA1 antagonists and uses thereof AMIRA PHARMACEUTICALS INC 2014-02-19 CN disclosed
EP-2648726-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
EP-2648726-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2012076532-A1 PROCESS FOR PURIFYING ARYL GROUP CONTAINING CARBONATES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2012-06-14 WO disclosed
WO-2012078805-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed
WO-2012078805-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed