SCHEMBL6604

SCHEMBL6604

CC=CCCCNc1c(C)noc1-c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1445 0.81 TSHR (0.44) LPAR1LPAR3
SCHEMBL11123 0.78 LPAR1 (0.40) LPAR1LPAR3TRPV1MAPTKDM4E
SCHEMBL7104 0.77 LPAR1 (0.34) LPAR1LPAR3MEN1KMT2ALMNA
SCHEMBL18597709 0.72 LPAR1 (0.40) LPAR1LPAR3MEN1KMT2ATRPV1
SCHEMBL1166 0.71 LPAR1 (0.47) LPAR1LPAR3LMNAMAPTKDM4E
SCHEMBL7303 0.71 CYP2A6 (0.38) LPAR1LPAR3MEN1KMT2ALMNA
SCHEMBL2106 0.70 MAPT (0.39) LPAR1LPAR3LMNATRPV1MAPT
SCHEMBL6478 0.70 LPAR1 (0.38) LPAR1LPAR3MEN1KMT2ALMNA
SCHEMBL4348 0.70 IGF1R (0.43) LPAR1LPAR3LMNAMAPTKDM4E
SCHEMBL6761 0.69 LPAR1 (0.38) LPAR1LPAR3MEN1KMT2AMAPT

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 2 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
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed