SCHEMBL6536698

SCHEMBL6536698

NC(=O)C(N)=O.NCCCCCCNCCCCCCN

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.68
MAOB P27338 1/20 0.68
CA12 O43570 2/20 0.62
F13A1 P00488 2/20 0.62
CA2 P00918 2/20 0.62
CYP1A2 P05177 2/20 0.62
ALOX15 P16050 2/20 0.62
CA4 P22748 2/20 0.62
CA6 P23280 2/20 0.62
CA5A P35218 2/20 0.62
THPO P40225 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
CA5B Q9Y2D0 2/20 0.62
CA1 P00915 1/20 0.62
CA3 P07451 1/20 0.62
CYP2C9 P11712 1/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62

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
SCHEMBL6536558 0.88 MAOA (0.72) MAOAMAOBCA12F13A1CA2
Succinamide SCHEMBL6536724 0.86 MAOA (0.69) MAOAMAOBCA12F13A1CA2
SCHEMBL18342530 0.86 MAOA (0.69) MAOAMAOBCA12F13A1CA2
SCHEMBL6536854 0.86 MAOA (0.69) MAOAMAOBCA12F13A1CA2
SCHEMBL9487188 0.84 CA12 (0.62) MAOAMAOBCA12F13A1CA2
SCHEMBL7096452 0.84 CA12 (0.87) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL16295924 0.84 CA12 (0.87) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL9182483 0.84 CA12 (0.87) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL5078139 0.84 CA12 (0.87) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL21388272 0.84 CA12 (0.87) CA12F13A1CA2CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677427-B1 REACTING AT LEAST ONE DIESTER AND AT LEAST ONE POLYAMINE IN PRESENCE OF A HYDROLYTIC ENZYME TO PREPARE POLYAMIDE HERCULES INCORPORATED 2004-01-13 US claimed
EP-1290211-A2 ENZYME-CATALYZED POLYAMIDES AND COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME HERCULES INCORPORATED (US) 2003-03-12 EP claimed
WO-2001096588-A2 ENZYME-CATALYZED POLYAMIDES AND COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME HERCULES INCORPORATED (US) 2001-12-20 WO claimed
US-6677427-B1 REACTING AT LEAST ONE DIESTER AND AT LEAST ONE POLYAMINE IN PRESENCE OF A HYDROLYTIC ENZYME TO PREPARE POLYAMIDE HERCULES INCORPORATED 2004-01-13 US disclosed
EP-1290211-A2 ENZYME-CATALYZED POLYAMIDES AND COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME HERCULES INCORPORATED (US) 2003-03-12 EP disclosed
WO-2001096588-A2 ENZYME-CATALYZED POLYAMIDES AND COMPOSITIONS AND PROCESSES OF PREPARING AND USING THE SAME HERCULES INCORPORATED (US) 2001-12-20 WO disclosed