SCHEMBL21548985

SCHEMBL21548985

C=C(CNC1CCCCC1)NC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 5/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PABPC1 P11940 1/20 0.36
DPP4 P27487 8/20 0.36
FAP Q12884 4/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ANPEP P15144 2/20 0.34
ERAP2 Q6P179 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL24503644 0.80 DPP7 (0.44) DPP7DPP4FAPPOLBEPHX1
SCHEMBL11675346 0.78 DPP7 (0.46) DPP7KDM4EMEN1KMT2APABPC1
SCHEMBL26163004 0.77 KDM4E (0.56) DPP7KDM4EPABPC1DPP4FAP
SCHEMBL19721644 0.77 KDM4E (0.56) DPP7KDM4EPABPC1DPP4FAP
SCHEMBL1044361 0.77
SCHEMBL11678027 0.76 DPP7 (0.42) DPP7KDM4EMEN1KMT2APABPC1
SCHEMBL25481378 0.75 KDM4E (0.47) DPP7KDM4EMEN1KMT2APABPC1
SCHEMBL8552632 0.75 KMT2A (0.50) DPP7KDM4EMEN1KMT2ADPP4
SCHEMBL15342527 0.74
Water SCHEMBL13278005 0.74 KDM4E (0.54) DPP7KDM4EPABPC1DPP4FAP

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-3564253-A1 ANTIDEPRESSANT COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-11-06 EP disclosed