SCHEMBL21028748

SCHEMBL21028748

Cc1ccccc1Cc1ccc(CCCCNCC(C)(C)C=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.43
SLC5A2 P31639 1/20 0.43
CHRM2 P08172 1/20 0.42
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 9/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL22995057 0.87 CHRM2 (0.46) SLC5A1SLC5A2CHRM2SIGMAR1L3MBTL1
SCHEMBL21029204 0.84 LTA4H (0.46) SLC5A1SLC5A2KMT2ASMN1; SMN2
SCHEMBL19034506 0.81 SLC5A1 (0.61) SLC5A1SLC5A2CHRM2KMT2AHPGD
SCHEMBL20803450 0.77 L3MBTL1 (0.65) CHRM2KMT2ASIGMAR1L3MBTL1HPGD
SCHEMBL21028739 0.77 KMT2A (0.49) SLC5A1SLC5A2KMT2AHPGDSMN1; SMN2
SCHEMBL22995083 0.74 L3MBTL1 (0.44) SLC5A1CHRM2KMT2ASIGMAR1L3MBTL1
SCHEMBL20802902 0.73 LTA4H (0.39) CHRM2
SCHEMBL340998 0.73 SIGMAR1 (0.48) KMT2ASIGMAR1HPGDSMN1; SMN2
SCHEMBL19034462 0.72 POLB (0.49) SLC5A1SLC5A2KMT2AHPGDSMN1; SMN2
SCHEMBL24029783 0.72 SLC5A1 (0.46) SLC5A1SLC5A2HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489226-A1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 Lexicon Pharmaceuticals, Inc. (US) 2019-05-29 EP disclosed