SCHEMBL7220733

SCHEMBL7220733

CSCCC(NC(C)=O)C(=O)NCc1cc2ccccc2oc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ MAOB P27338 4/20 0.46
▸ MAOA P21397 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ ADAM17 P78536 1/20 0.42

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
SCHEMBL2168561 0.78 CASP3 (0.41) MAOBMAOACASP1CASP7MMP2
SCHEMBL14879995 0.77 NTMT1 (0.47) KMT2A
SCHEMBL5400405 0.76 MAOB (0.55) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL5400401 0.76 MAOB (0.55) MAOBMAOAKDM4EALDH1A1HPGD
SCHEMBL7521630 0.75 ANPEP (0.69) TSHRALDH1A1FNTAFNTBANPEP
SCHEMBL7521626 0.75 ANPEP (0.69) TSHRALDH1A1FNTAFNTBANPEP
SCHEMBL6930389 0.74 MAOB (0.53) MAOBMAOAKDM4EALDH1A1HSD17B10
SCHEMBL16401469 0.72 MAOB (0.49) MAOBMAOAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7402074 0.71 PTGER4 (0.44) MAOBKMT2ANPC1RAB9A
SCHEMBL7402070 0.71 PTGER4 (0.44) MAOBKMT2ANPC1RAB9A

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-6589949-B1 Methods for production thereof and use thereof in the production of medicaments for the prophylaxis and/or treatment of diseases of the central nervous system, in particular, cognitive disorders, such as Alzheimer's disease and other BAYER AKTIENGESELLSCHAFT (DE) 2003-07-08 — — US disclosed
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