SCHEMBL29953939

SCHEMBL29953939

COc1ccc(C=O)cc1CN1CCNC(=O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.52
ALDH1A1 P00352 8/20 0.50
MAPT P10636 5/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL15332886 0.91 RXFP1 (0.52) RXFP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL29953174 0.86 CYP1A2 (0.57) RXFP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL25640341 0.79 KDM4E (0.61) RXFP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL17864792 0.78 KDM4E (0.63) RXFP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL9357053 0.78 CHRM2 (0.71) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL348999 0.77 MAPT (0.64) RXFP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL17982837 0.77 RXFP1 (0.55) RXFP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL2559982 0.74 RXFP1 (0.62) RXFP1ALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL15330421 0.74 RXFP1 (0.52) RXFP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL5111329 0.73 POLB (0.48) ALDH1A1KDM4ELMNAGAAMEN1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed