SCHEMBL7993902

SCHEMBL7993902

CN(CCN(C(=O)O)c1cccc(C(F)(F)F)c1)C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CES2 O00748 1/20 0.46
TACR1 P25103 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC11 Q96DB2 2/20 0.44
PDK1 Q15118 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44
SRD5A2 P31213 1/20 0.43
POLB P06746 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
HDAC1 Q13547 1/20 0.42
MAPK14 Q16539 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4437768 0.82 MEN1 (0.54) MEN1KMT2ACES2HDAC8HDAC6
SCHEMBL15933244 0.80 ALDH1A1 (0.56) OPRM1OPRL1MEN1KMT2ACES2
SCHEMBL20870672 0.74 CES2 (0.65) OPRM1OPRL1MEN1KMT2ACES2
SCHEMBL3876454 0.74 CES2 (0.65) OPRM1OPRL1MEN1KMT2ACES2
SCHEMBL12544171 0.73 NR1H3 (0.57) OPRM1OPRL1MEN1KMT2ACES2
SCHEMBL9100653 0.72 CES2 (0.62) OPRM1OPRL1MEN1KMT2ACES2
SCHEMBL11174926 0.72 TACR1 (0.50) MEN1KMT2ACES2TACR1ALDH1A1
SCHEMBL20357360 0.72 MEN1 (0.44) MEN1KMT2ACES2HDAC8HDAC6
SCHEMBL7992815 0.72 ALDH1A1 (0.42) OPRM1OPRL1CES2TACR1ALDH1A1
SCHEMBL25216553 0.71 CES2 (0.61) OPRM1OPRL1MEN1KMT2ACES2

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
WO-2001046152-A1 HERBICIDAL DIACYL DERIVATIVES OF PROPYLENE DIAMINE MONSANTO TECHNOLOGY LLC (US) 2001-06-28 WO disclosed