SCHEMBL28751617

SCHEMBL28751617

O=C1CCN(c2ccc(NS(=O)(=O)CCc3ccc(C(=O)O)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NR3C1 P04150 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
USP2 O75604 2/20 0.39
POLB P06746 1/20 0.38
PPARA Q07869 1/20 0.38
MAPT P10636 2/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
PTPRB P23467 1/20 0.36

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
SCHEMBL6074374 0.80 POLB (0.59) GFERL3MBTL1USP2POLBMAPT
SCHEMBL894337 0.77 HPGD (0.56) NR3C1MEN1KMT2ACA12CA1
SCHEMBL1664948 0.77 KDM4E (0.61) L3MBTL1KDM4EUSP2POLBMAPT
SCHEMBL6074241 0.71 CA1 (0.44) GFERL3MBTL1KDM4EMAPTNPC1
SCHEMBL3555917 0.70 HPGD (0.62) L3MBTL1KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL3558724 0.70 LMNA (0.56) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6982597 0.69 ALDH1A1 (0.53) GFERL3MBTL1USP2POLBMAPT
SCHEMBL6074446 0.69 LMNA (0.61) USP2POLBMAPTALDH1A1DRD2
SCHEMBL7302963 0.69 ALDH1A1 (0.47) KDM4EUSP2MAPTSMN1; SMN2ALDH1A1
SCHEMBL23355702 0.68 L3MBTL3 (0.44) GFERL3MBTL1ITGB3ITGA2BPOLB

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
CN-1455771-A Cyclic amine phenyl Beta-3 adrenergic receptor agonists WYETH LTD (US) 2003-11-12 CN disclosed