SCHEMBL9012871

SCHEMBL9012871

CN(C)CCc1cc(=O)c(OCc2ccccc2)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
HTR1D P28221 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
SLC6A4 P31645 1/20 0.44
EGFR P00533 2/20 0.43
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
MCHR1 Q99705 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL9012870 0.87 HTR2A (0.43) HTR2AHTR1DTRPM8EGFRMEN1
SCHEMBL9653085 0.80 LOXL2 (0.48) TRPM8POLBLMNA
SCHEMBL71120 0.80 GSTP1 (0.44) MEN1KMT2APOLBLMNA
SCHEMBL9012908 0.80 L3MBTL1 (0.43) POLBLMNA
SCHEMBL13462058 0.79 LMNA (0.50) POLBLMNA
Hydrochloric Acid SCHEMBL10894906 0.79 L3MBTL1 (0.42) POLBLMNA
SCHEMBL2116326 0.78 L3MBTL1 (0.54) POLBLMNA
SCHEMBL4145610 0.77 ALDH1A1 (0.53)
SCHEMBL9013185 0.77 HRH3 (0.51) EGFRMEN1KMT2AMCHR1
SCHEMBL10672044 0.76 GSTP1 (0.41) POLBLMNA

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 4 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