SCHEMBL2605

SCHEMBL2605

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.41
LPAR1 Q92633 2/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 1/20 0.41
ABCB4 P21439 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
NR1H4 Q96RI1 5/20 0.40
P2RX7 Q99572 1/20 0.37
SCN9A Q15858 3/20 0.36
FABP1 P07148 1/20 0.35
FABP4 P15090 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
APP P05067 1/20 0.35
CYP3A4 P08684 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
SCHEMBL2182 0.91 SCN9A (0.38) CYP2C9LPAR1ABCC3ABCC4ABCB11
SCHEMBL7294 0.89 P2RX7 (0.36) LPAR1P2RX7SCN9ASCN5AL3MBTL1
SCHEMBL2214 0.88 LPAR1 (0.45) CYP2C9LPAR1ABCC3ABCC4ABCB11
SCHEMBL7632 0.84 KMT2A (0.38) P2RX7SCN9ASCN5AL3MBTL1MAPT
SCHEMBL982 0.84 LPAR1 (0.48) CYP2C9LPAR1ABCC3ABCC4ABCB11
SCHEMBL2292 0.84 CYP2C9 (0.42) CYP2C9LPAR1ABCC3ABCC4ABCB11
SCHEMBL1630 0.84 ABCC3 (0.42) CYP2C9LPAR1ABCC3ABCC4ABCB11
SCHEMBL1239 0.84 ABCC3 (0.42) CYP2C9LPAR1ABCC3ABCC4ABCB11
SCHEMBL7415 0.81 LPAR1 (0.46) CYP2C9LPAR1ABCC3ABCC4ABCB11
SCHEMBL1403 0.80 LPAR1 (0.41) CYP2C9LPAR1ABCC3ABCC4ABCB11

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

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