SCHEMBL22227201

SCHEMBL22227201

O=C(O)c1cnc2c(c1)OCCCCN2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.46
GRM5 P41594 2/20 0.43
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
P4HA1 P13674 1/20 0.37
FLT3 P36888 1/20 0.37
MERTK Q12866 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4A O75164 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
POLB P06746 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
SCHEMBL21201865 0.96 NNMT (0.47) NNMTGRM5NPC1RAB9AALDH1A1
SCHEMBL12169366 0.90 GRM5 (0.52) NNMTGRM5ALDH1A1MAPK1P4HA1
SCHEMBL31133539 0.90 GRM5 (0.52) NNMTGRM5ALDH1A1MAPK1P4HA1
SCHEMBL22225988 0.84 NNMT (0.42) NNMTGRM5NPC1RAB9AALDH1A1
SCHEMBL22225953 0.80 NNMT (0.43) NNMTGRM5NPC1RAB9AALDH1A1
SCHEMBL21782980 0.78 NNMT (0.68) NNMTGRM5NPC1RAB9AALDH1A1
SCHEMBL22225998 0.78 HPGD (0.51) NNMTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL25787851 0.77 NNMT (0.62) NNMTGRM5ALOX5APFEN1PIK3CA
SCHEMBL14242971 0.77 GRM5 (0.48) NNMTGRM5ALOX5APFEN1KDM4E
SCHEMBL5306512 0.76 NNMT (0.75) NNMTGRM5ALDH1A1P4HA1ALOX5AP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP disclosed
WO-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 WO disclosed