SCHEMBL22226402

SCHEMBL22226402

O=C(c1cnc2c(c1)CCCN2)N1CCC(F)(F)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.57
VNN1 O95497 4/20 0.45
HPGD P15428 2/20 0.44
CRBN Q96SW2 3/20 0.42
ADRA1A P35348 2/20 0.38
PDK2 Q15119 2/20 0.35
PLAT P00750 1/20 0.35
CYP11B2 P19099 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CYP3A4 P08684 1/20 0.35
PDK1 Q15118 1/20 0.35
FASN P49327 1/20 0.35

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
SCHEMBL24463699 0.93 NNMT (0.56) NNMTVNN1HPGDCRBNADRA1A
SCHEMBL24099729 0.91 NNMT (0.55) NNMTVNN1HPGDCRBNPDK2
SCHEMBL22226400 0.86 NNMT (0.64) NNMTVNN1HPGDCRBNCYP11B2
SCHEMBL22226404 0.83 NNMT (0.59) NNMTVNN1HPGDCRBNCYP11B2
SCHEMBL22226015 0.82 VNN1 (0.44) NNMTVNN1HPGDPRMT5WDR77
SCHEMBL22226403 0.80 NNMT (0.61) NNMTVNN1HPGDCRBNCYP11B2
SCHEMBL22226928 0.76 NNMT (0.51) NNMTVNN1CRBN
SCHEMBL22226398 0.76 NNMT (0.51) NNMTVNN1CRBN
SCHEMBL5306512 0.75 NNMT (0.75) NNMTCRBN
SCHEMBL25787747 0.74 NNMT (1.00) NNMTCRBNCYP11B2

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-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 WO disclosed