SCHEMBL22226401

SCHEMBL22226401

CN1CCNc2ncc(C(=O)N3CCCCC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.43
ALK Q9UM73 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GRM5 P41594 5/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
CNR1 P21554 1/20 0.38
VNN1 O95497 1/20 0.38

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
SCHEMBL25787972 0.81 NNMT (0.55) ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL22226403 0.77 NNMT (0.61) HPGDALDH1A1GRM5KDM4EPOLB
SCHEMBL22226400 0.76 NNMT (0.64) HPGDALDH1A1GRM5KDM4EPOLB
SCHEMBL22225952 0.76 JMJD6 (0.43)
SCHEMBL22226404 0.75 NNMT (0.59) HPGDALDH1A1GRM5KDM4EPOLB
SCHEMBL21201821 0.74 HPGD (0.52) HPGDALDH1A1GRM5KDM4EPOLB
SCHEMBL19908694 0.74 HPGD (0.50) HPGDALDH1A1POLBSMN1; SMN2
SCHEMBL22225998 0.73 HPGD (0.51) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL22226405 0.72 NNMT (0.46) HPGDALDH1A1GRM5KDM4EPOLB
SCHEMBL15641044 0.72 ALDH1A1 (0.32) HPGDALKALDH1A1SMN1; SMN2

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