SCHEMBL9012988

SCHEMBL9012988

O=c1cc(CCN2CCCC2)[nH]cc1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HRH3 Q9Y5N1 7/20 0.41
PABPC1 P11940 1/20 0.38
MPO P05164 1/20 0.37
APP P05067 2/20 0.36
HTR1D P28221 3/20 0.35
HTR1B P28222 3/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL14971430 0.84 PABPC1 (0.50) PABPC1
SCHEMBL16231848 0.76 COMT (0.52) HTR2BSLC6A3
SCHEMBL16231763 0.74 KDM4E (0.44) HTR2AHTR2CHTR2BHRH3PABPC1
SCHEMBL16231797 0.74 PABPC1 (0.41) HTR2AHTR2CHTR2BPABPC1
SCHEMBL16231872 0.73 PABPC1 (0.43) PABPC1
SCHEMBL16231847 0.73 PABPC1 (0.40) HRH3PABPC1
SCHEMBL14971444 0.72 L3MBTL3 (0.42) PABPC1
SCHEMBL9013185 0.71 HRH3 (0.51) HRH3SLC6A3
SCHEMBL14971450 0.71 HSD17B10 (0.42) PABPC1
SCHEMBL16231781 0.71 ALDH1A1 (0.47) PABPC1

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