SCHEMBL10638

SCHEMBL10638

CCCC(=O)Nc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
TSHR P16473 1/20 0.67
HRH3 Q9Y5N1 12/20 0.61
KCNH2 Q12809 3/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 2/20 0.60
ALOX15 P16050 1/20 0.60
HRH1 P35367 2/20 0.56
CYP2D6 P10635 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP1A2 P05177 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
THRB P10828 1/20 0.56
CYP2C9 P11712 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD4 P21917 1/20 0.56

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
SCHEMBL10627 0.89 EPHX2 (0.66) LMNAHRH3KCNH2MAPTALDH1A1
SCHEMBL14006288 0.88 LMNA (0.70) LMNATSHRHRH3KCNH2MAPT
SCHEMBL14006202 0.88 LMNA (0.70) LMNATSHRHRH3KCNH2MAPT
SCHEMBL14006223 0.87 LMNA (0.68) LMNATSHRHRH3KCNH2MAPT
SCHEMBL10378 0.83 LIPE (0.58) LMNAMAPTALDH1A1KMT2ATHRB
SCHEMBL9390735 0.80 L3MBTL1 (0.74) MAPTALDH1A1CYP2D6MEN1CYP2C19
SCHEMBL14006284 0.79 EPHX2 (0.60) LMNATSHRMAPTALDH1A1HRH1
SCHEMBL4094339 0.78 HRH3 (1.00) HRH3KCNH2HRH1HRH2
SCHEMBL12050645 0.78 HRH3 (1.00) HRH3KCNH2HRH1HRH2
SCHEMBL491776 0.78 HRH2 (0.83) LMNATSHRHRH3KCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 WO disclosed