SCHEMBL6013894

SCHEMBL6013894

O=C(O)NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 12/20 0.61
▸ TACR1 P25103 1/20 0.56
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ TACR3 P29371 1/20 0.53

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
SCHEMBL3795866 0.91 NMBR (0.68) NMBRGAAMAPTHTT
SCHEMBL4930789 0.90 NMBR (0.58) NMBRTACR1MAPTTACR3
SCHEMBL4930779 0.90 NMBR (0.58) NMBRTACR1MAPTTACR3
SCHEMBL4888176 0.89 NMBR (0.56) NMBRTACR1TACR3
SCHEMBL9088692 0.87 NMBR (0.72) NMBRTACR1GAAMAPTHTT
SCHEMBL16915248 0.87 NMBR (0.58) NMBRTACR1GAAMAPTHTT
SCHEMBL6020259 0.86 NMBR (0.58) NMBRTACR1GAAMAPTHTT
SCHEMBL6020248 0.86 CTSL (0.67) NMBRTACR1GAAMAPTHTT
SCHEMBL850319 0.86 ALOX15 (0.56) NMBR
SCHEMBL119594 0.86 ALOX15 (0.56) NMBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635877-A2 SPECIFIC HIGH-RELAXIVITY CONJUGATE COMPOUNDS FOR MAGNETIC RESONANCE IMAGING GUERBET (FR) 2006-03-22 — — EP disclosed
WO-2004112839-A2 SPECIFIC HIGH-RELAXIVITY CONJUGATE COMPOUNDS FOR MAGNETIC RESONANCE IMAGING GUERBET (FR) 2004-12-29 — — WO disclosed
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