SCHEMBL2635566

SCHEMBL2635566

Cc1noc(-c2ccc(Br)cc2)c1NC(=O)OCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
LPAR1 Q92633 5/20 0.46
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 2/20 0.43
TRPV1 Q8NER1 5/20 0.41
CYP2C9 P11712 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP2C8 P10632 1/20 0.38
ABCB4 P21439 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
FLT1 P17948 1/20 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
SCHEMBL7708 0.87 LPAR1 (0.54) MAPTLPAR1LPAR3LPAR2CYP2C9
SCHEMBL2635764 0.84 LPAR1 (0.57) MAPTLPAR1LPAR3LPAR2TRPV1
SCHEMBL2635872 0.83 LPAR1 (0.47) MAPTLPAR1LPAR3LPAR2TRPV1
SCHEMBL2335007 0.82 LPAR1 (0.46) MAPTLPAR1LPAR3LPAR2CYP2C9
SCHEMBL3706544 0.80 LPAR1 (0.47) MAPTLPAR1LPAR3LPAR2CYP2C9
SCHEMBL343557 0.80 LPAR1 (0.66) MAPTLPAR1LPAR3LPAR2TRPV1
SCHEMBL2761399 0.80 LPAR1 (0.54) MAPTLPAR1LPAR3LPAR2CYP2C9
SCHEMBL2335998 0.80 LPAR1 (0.48) MAPTLPAR1LPAR3LPAR2CYP2C9
SCHEMBL2333490 0.79 LPAR1 (0.56) MAPTLPAR1LPAR3LPAR2CYP2C9
SCHEMBL2332531 0.78 LPAR1 (0.52) MAPTLPAR1LPAR3LPAR2CYP2C9

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-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed