SCHEMBL7023148

SCHEMBL7023148

O=C1c2ccccc2C(=O)N1CCCCn1cnc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CREBBP Q92793 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL7030199 0.81 ALDH1A1 (0.50) HTR1ATDP1MAPTRAB9ASMN1; SMN2
SCHEMBL5823359 0.77 ALDH1A1 (0.45) MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL14696607 0.76 L3MBTL1 (0.53) L3MBTL1MAPTSMN1; SMN2TAAR1ALDH1A1
SCHEMBL27972864 0.76 L3MBTL1 (0.48) L3MBTL1TAAR1ALDH1A1
SCHEMBL7016796 0.76 L3MBTL1 (0.45) L3MBTL1MAPTTAAR1ALDH1A1
SCHEMBL661173 0.75 QPCT (0.51) MAPTRAB9ASMN1; SMN2
SCHEMBL23772042 0.75 BCHE (0.48) TDP1L3MBTL1
SCHEMBL9730065 0.75 L3MBTL1 (0.44) L3MBTL1MAPTTAAR1ALDH1A1
SCHEMBL28281482 0.75 L3MBTL1 (0.47) L3MBTL1TAAR1ALDH1A1
SCHEMBL28281549 0.75 L3MBTL1 (0.47) L3MBTL1TAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026170-B1 Erythromycin derivatives, their preparation and use as medicaments AVENTIS PHARMA SA (FR) 2003-01-15 EP disclosed
US-6313101-B1 ANTIBIOTICS AVENTIS PHARMA S.A. (FR) 2001-11-06 US disclosed
EP-1026170-A1 Erythromycin derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 2000-08-09 EP disclosed