SCHEMBL7058

SCHEMBL7058

Cc1noc(-c2ccc(Br)cc2)c1N(C)CCC(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.37
LPAR3 Q9UBY5 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
DRD1 P21728 3/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
HRH1 P35367 2/20 0.34
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
LMNA P02545 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
TBXA2R P21731 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 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
SCHEMBL6885 0.80 LPAR1 (0.55) LPAR1LPAR3HRH1ABCC3ABCC4
SCHEMBL6285 0.77 LPAR1 (0.48) LPAR1ALDH1A1SLC6A4KCNH2LMNA
SCHEMBL1166 0.76 LPAR1 (0.47) LPAR1LPAR3ALDH1A1SLC6A4LMNA
SCHEMBL7057 0.75 L3MBTL1 (0.37) LPAR1LPAR3ALDH1A1LMNADRD3
SCHEMBL6972 0.72 LPAR1 (0.38) LPAR1LPAR3ALDH1A1LMNAABCC3
SCHEMBL6971 0.72 LPAR1 (0.38) LPAR1LPAR3ALDH1A1LMNAABCC3
SCHEMBL1691 0.71 LPAR1 (0.40) LPAR1LPAR3ALDH1A1ABCC3ABCC4
SCHEMBL1690 0.71 LPAR1 (0.40) LPAR1LPAR3ALDH1A1ABCC3ABCC4
SCHEMBL27886983 0.70 LPAR1 (0.34) LPAR1LPAR3ALDH1A1ABCC3ABCC4
SCHEMBL27880057 0.70 LPAR1 (0.40) LPAR1LPAR3ALDH1A1ABCC3ABCC4

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