SCHEMBL9013185

SCHEMBL9013185

O=c1cc(CCN2CCCC2)[nH]cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
LTA4H P09960 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HTT P42858 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KCNH2 Q12809 2/20 0.43
MCHR1 Q99705 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MET P08581 1/20 0.42
EGFR P00533 2/20 0.42
NPY1R P25929 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL9653085 0.77 LOXL2 (0.48) LTA4HL3MBTL1
SCHEMBL9012908 0.77 L3MBTL1 (0.43) L3MBTL1
SCHEMBL71120 0.77 GSTP1 (0.44) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1
SCHEMBL9012871 0.77 HTR2A (0.52) MCHR1EGFRMEN1KMT2A
Hydrochloric Acid SCHEMBL10894906 0.76 L3MBTL1 (0.42) L3MBTL1
SCHEMBL10672044 0.74 GSTP1 (0.41) SMN1; SMN2L3MBTL1
SCHEMBL9012870 0.74 HTR2A (0.43) SMN1; SMN2MCHR1L3MBTL1EGFRMEN1
SCHEMBL13462058 0.74 LMNA (0.50) SMN1; SMN2L3MBTL1
SCHEMBL2116326 0.72 L3MBTL1 (0.54) LTA4HHTTSMN1; SMN2L3MBTL1
SCHEMBL4145610 0.72 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345671-B1 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-08-21 EP disclosed
US-5532354-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5401734-A MICROBIOCIDES FUJISAWA PHAMACEUTICAL CO., LTD. (JP) 1995-03-28 US disclosed
US-5244890-A Treatment of infectious diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0345671-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-13 EP disclosed