SCHEMBL5362299

SCHEMBL5362299

O=C(NCC1CCN(C(=O)OCc2ccc(Cl)cc2)CCO1)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.58
TPSAB1 Q15661 2/20 0.54
TPSD1 Q9BZJ3 2/20 0.54
TPSG1 Q9NRR2 2/20 0.54
F2 P00734 1/20 0.54
PLG P00747 1/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 5/20 0.46
ENPP2 Q13822 3/20 0.46
LMNA P02545 3/20 0.46
ALOX12 P18054 1/20 0.45
CXCR3 P49682 1/20 0.45
MAPT P10636 3/20 0.45

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
SCHEMBL14425465 1.00 SMN1; SMN2 (0.58) SMN1; SMN2TPSAB1TPSD1TPSG1F2
SCHEMBL14425446 0.91 SMN1; SMN2 (0.54) SMN1; SMN2TPSAB1TPSD1TPSG1F2
SCHEMBL5363021 0.91 SMN1; SMN2 (0.54) SMN1; SMN2TPSAB1TPSD1TPSG1F2
SCHEMBL14425316 0.91 SMN1; SMN2 (0.54) SMN1; SMN2TPSAB1TPSD1TPSG1F2
SCHEMBL5366865 0.90 F2 (0.54) SMN1; SMN2TPSAB1TPSD1TPSG1F2
SCHEMBL5368192 0.90 TPSAB1 (0.54) SMN1; SMN2TPSAB1TPSD1TPSG1F2
SCHEMBL14425463 0.90 TPSAB1 (0.54) SMN1; SMN2TPSAB1TPSD1TPSG1F2
SCHEMBL14425462 0.90 F2 (0.54) SMN1; SMN2TPSAB1TPSD1TPSG1F2
SCHEMBL14425466 0.90 F2 (0.53) SMN1; SMN2TPSAB1TPSD1TPSG1F2
SCHEMBL5370633 0.90 F2 (0.53) SMN1; SMN2TPSAB1TPSD1TPSG1F2

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
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed