SCHEMBL22799242

SCHEMBL22799242

N=C(N)NCCCC(N)C(=O)CF

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.38
▸ NPY1R P25929 6/20 0.38
▸ NPY2R P49146 4/20 0.38
▸ NPY5R Q15761 4/20 0.38
▸ DPP7 Q9UHL4 2/20 0.38
▸ OTC P00480 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DDAH1 O94760 1/20 0.35
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33

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
SCHEMBL22799243 1.00 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL19465128 0.84 DPP7 (0.39) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL2186467 0.84 DPP7 (0.39) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL5872308 0.84 DPP7 (0.39) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL2186462 0.84 DPP7 (0.39) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL18819440 0.83 DPP7 (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL30531668 0.83 OTC (0.41) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL9194730 0.83 DPP7 (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL21027152 0.83 DPP7 (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL31198211 0.82 DPP7 (0.40) NPY4RNPY1RNPY2RNPY5RDPP7

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-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 — — EP disclosed
Send feedback