SCHEMBL29565241

SCHEMBL29565241

CC1CCCN(C(=O)c2cnc3c(ccn3-c3ccc(C(=O)O)cc3)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.53
RECQL P46063 1/20 0.49
GRM5 P41594 5/20 0.48
ALDH1A1 P00352 2/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MGLL Q99685 1/20 0.45
ADRA1A P35348 2/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
VNN1 O95497 1/20 0.42

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
SCHEMBL23675221 1.00 HPGD (0.53) HPGDRECQLGRM5ALDH1A1CA12
SCHEMBL24942775 1.00 HPGD (0.53) HPGDRECQLGRM5ALDH1A1CA12
SCHEMBL23675222 1.00 HPGD (0.53) HPGDRECQLGRM5ALDH1A1CA12
SCHEMBL24463707 0.94 HPGD (0.50) HPGDRECQLGRM5ALDH1A1MGLL
SCHEMBL23680632 0.94 HPGD (0.50) HPGDRECQLGRM5ALDH1A1MGLL
SCHEMBL29565726 0.91 HPGD (0.50) HPGDRECQLGRM5ALDH1A1CA12
SCHEMBL29257187 0.89 HPGD (0.50) HPGDRECQLGRM5ALDH1A1MGLL
SCHEMBL24942223 0.89 HPGD (0.50) HPGDRECQLGRM5ALDH1A1MGLL
SCHEMBL23680629 0.87 HPGD (0.67) HPGDGRM5ALDH1A1MGLL
SCHEMBL29257221 0.86 HPGD (0.56) HPGDRECQLGRM5ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4228650-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF Epirium Bio Inc. (US) 2023-08-23 EP disclosed
EP-4093385-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING Myoforte Therapeutics Inc. (US) 2022-11-30 EP disclosed
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed