SCHEMBL22226403

SCHEMBL22226403

O=C(c1cnc2c(c1)CCN2)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.61
HPGD P15428 8/20 0.46
ALDH1A1 P00352 2/20 0.44
PIK3C3 Q8NEB9 1/20 0.43
CRBN Q96SW2 3/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM5 P41594 2/20 0.40
VNN1 O95497 1/20 0.40
CNR1 P21554 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL22226400 0.93 NNMT (0.64) NNMTHPGDALDH1A1CRBNKDM4E
SCHEMBL22226404 0.92 NNMT (0.59) NNMTHPGDALDH1A1CRBNKDM4E
SCHEMBL24463699 0.84 NNMT (0.56) NNMTHPGDPIK3C3CRBNGRM5
SCHEMBL22226405 0.83 NNMT (0.46) NNMTHPGDALDH1A1KDM4EPOLB
SCHEMBL8389254 0.83 PIK3C3 (0.52) NNMTHPGDALDH1A1PIK3C3CYP11B2
SCHEMBL21201821 0.80 HPGD (0.52) NNMTHPGDALDH1A1KDM4EPOLB
SCHEMBL22226402 0.80 NNMT (0.57) NNMTHPGDCRBNVNN1CYP11B2
SCHEMBL22225998 0.79 HPGD (0.51) NNMTHPGDALDH1A1KDM4EPOLB
SCHEMBL24099729 0.78 NNMT (0.55) NNMTHPGDPIK3C3CRBNVNN1
SCHEMBL22226401 0.77 HPGD (0.43) HPGDALDH1A1KDM4EPOLBALOX15

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