SCHEMBL23020575

SCHEMBL23020575

CNN(CCN(C)C)C(=O)Cc1ccccc1C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.36
UTS2R Q9UKP6 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 4/20 0.33
ALDH1A1 P00352 3/20 0.33
POLQ O75417 1/20 0.33
HRH1 P35367 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL14708930 0.80 UTS2R (0.36) BCAT2UTS2RSLC6A2SLC6A4SLC6A3
SCHEMBL17970597 0.74 KDM4E (0.46) CYP2C19LMNAALDH1A1POLBKDM4E
SCHEMBL3693598 0.73 MEN1 (0.47) UTS2RSLC6A2SLC6A4SLC6A3LMNA
SCHEMBL9763706 0.71 RAD52 (0.47) SLC6A4LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL8208884 0.69 L3MBTL1 (0.49) BCAT2CYP3A4TSHRLMNAALDH1A1
SCHEMBL8579457 0.69 LMNA (0.46) BCAT2CYP3A4CYP2C19TSHRLMNA
SCHEMBL14708928 0.69 POLB (0.38) BCAT2UTS2RSLC6A2SLC6A4SLC6A3
SCHEMBL6555816 0.68 BCAT2 (0.62) BCAT2CYP1A2LMNAALDH1A1POLB
SCHEMBL47640 0.68 OPRM1 (0.39) UTS2RCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10209861 0.67 LMNA (0.47) BCAT2TSHRLMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782649-A1 BIODEGRADABLE POLYETHYLENE GLYCOL BASED WATER-INSOLUBLE HYDROGELS Ascendis Pharma A/S (DK) 2021-02-24 EP disclosed