SCHEMBL7777231

SCHEMBL7777231

O=C(OCc1ccccc1)N1CCN(c2ccc3c(=O)cc(S)sc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 18/20 0.50
SIGMAR1 Q99720 18/20 0.50
HRH1 P35367 5/20 0.50
HRH3 Q9Y5N1 5/20 0.50
HRH2 P25021 4/20 0.50
HTR1A P08908 3/20 0.50
ADRA2C P18825 2/20 0.50
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
DRD1 P21728 1/20 0.50
HTR1B P28222 1/20 0.50
HTR1E P28566 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRB1 P08588 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9727540 0.75 NPSR1 (0.68) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL12814257 0.74 MEN1 (0.60) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL6132364 0.74 GAA (0.69) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL2384619 0.73 DRD2 (0.59) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL6132579 0.73 MEN1 (0.59) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL5232990 0.73 TMEM97 (0.52) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL27208439 0.72 TMEM97 (0.58) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL3970912 0.72 MEN1 (0.76) HTR2CMEN1KMT2ANPSR1NPC1
SCHEMBL4814264 0.72 MEN1 (0.76) HTR2CMEN1KMT2ANPSR1NPC1
SCHEMBL379160 0.72 MEN1 (0.76) HTR2CMEN1KMT2ANPSR1NPC1

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
US-6294527-B1 ANTIBIOTICS FOR METHACILLIN RESISTANT BACTERIA ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2001-09-25 US disclosed
EP-0949262-B1 CEPHEM COMPOUNDS ZENYAKU KOGYO KK (JP) 2001-08-22 EP disclosed
EP-0949262-A1 CEPHEM COMPOUNDS ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-10-13 EP disclosed