SCHEMBL8564887

SCHEMBL8564887

CC(=O)C(C)(C)NCCCNC(C)(C)C(=O)C(=O)n1cnc([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL6131612 0.79 TAAR1 (0.47) TAAR1L3MBTL1
SCHEMBL8557711 0.74 LMNA (0.39)
SCHEMBL8564389 0.74 SMN1; SMN2 (0.34)
SCHEMBL8565270 0.74 MITF (0.31)
SCHEMBL13102445 0.70 L3MBTL1 (0.42) TAAR1L3MBTL1HTR2AHTR2CHTR2B
SCHEMBL8764405 0.68 TAAR1 (0.41) TAAR1L3MBTL1
SCHEMBL12781909 0.67 L3MBTL1 (0.46) TAAR1L3MBTL1HTR2AHTR2CHTR2B
SCHEMBL6131598 0.67 L3MBTL1 (0.45) TAAR1L3MBTL1
SCHEMBL8565364 0.65 LMNA (0.39)
SCHEMBL6131614 0.65 LMNA (0.52)

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
US-5808091-A DIAGNOSTIC IMAGING AGENT BRACCO INTERNATIONAL B.V. 1998-09-15 US disclosed
US-5688487-A Diagnostic imaging methods using rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1997-11-18 US disclosed