SCHEMBL1899

SCHEMBL1899

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CC/C=C(\O)c4ccc(C(F)(F)F)cc4)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 4/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
ABCB4 P21439 1/20 0.35
LPAR1 Q92633 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
TRPV1 Q8NER1 4/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A9 P48067 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1402 0.91 LMNA (0.37) OPRM1OPRD1OPRK1ABCC3ABCC4
SCHEMBL6654 0.90 ABCC3 (0.37) OPRM1OPRD1OPRK1ABCC3ABCC4
SCHEMBL1757 0.90 ABCC3 (0.42) OPRM1OPRD1OPRK1ABCC3ABCC4
SCHEMBL1595 0.87 OPRM1 (0.35) OPRM1OPRD1OPRK1ABCC3ABCC4
SCHEMBL1960 0.86 OPRM1 (0.38) OPRM1OPRD1OPRK1ABCC3ABCC4
SCHEMBL1861 0.85 NPSR1 (0.38) OPRM1OPRD1OPRK1ABCC3ABCC4
SCHEMBL7073 0.84 ABCC3 (0.37) OPRM1OPRD1OPRK1ABCC3ABCC4
SCHEMBL1609 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1ABCC3ABCC4
SCHEMBL2380 0.82 ABCC3 (0.38) OPRM1OPRD1OPRK1ABCC3ABCC4
SCHEMBL2068 0.81 OPRM1 (0.39) OPRM1OPRD1OPRK1ABCC3ABCC4

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 disclosed
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed