SCHEMBL177393

SCHEMBL177393

COc1cccc(N(C)S(=O)(=O)c2ccc(-c3ccc(CN4CC(C(=O)OC(=O)CN(C)Cc5ccc(-c6ccc(CN(c7ccc(F)cc7)C(C)C)cc6)cc5)C4)cc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.53
MAPT P10636 1/20 0.36
TAS2R14 Q9NYV8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ABCB1 P08183 1/20 0.34
NR1H2 P55055 1/20 0.34
STAT3 P40763 1/20 0.34
TACR1 P25103 2/20 0.33
MLNR O43193 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
KCNA5 P22460 1/20 0.33

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
SCHEMBL177394 0.90 S1PR1 (0.61) S1PR1MAPTTAS2R14NPSR1ABCB1
SCHEMBL177392 0.82 S1PR1 (0.57) S1PR1MAPTTAS2R14NPSR1KMT2A
SCHEMBL177470 0.80 HSD17B1 (0.42) S1PR1MAPTMEN1KMT2AABCB1
SCHEMBL177154 0.77 S1PR5 (0.49) S1PR1TAS2R14ABCB1
SCHEMBL178252 0.75 S1PR1 (0.79) S1PR1MLNR
SCHEMBL177204 0.71 S1PR1 (1.00) S1PR1MLNRHTT
SCHEMBL177596 0.70 S1PR1 (0.53) S1PR1MAPTNPSR1MEN1KMT2A
SCHEMBL15512145 0.67 HSD17B1 (0.41) MAPTTAS2R14MEN1KMT2AHTT
SCHEMBL177322 0.65 S1PR1 (0.59) S1PR1MAPTMEN1KMT2A
SCHEMBL177580 0.62 S1PR1 (0.42) S1PR1MAPTMEN1KMT2A

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-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP claimed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO claimed