SCHEMBL29564797

SCHEMBL29564797

COc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.66
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 3/20 0.47
CHEK1 O14757 1/20 0.47
NTRK2 Q16620 1/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL23675159 1.00 GRM5 (0.66) GRM5HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL990783 0.78 GRM5 (1.00) GRM5
SCHEMBL991073 0.78 GRM5 (1.00) GRM5
SCHEMBL23675265 0.77 GRM5 (0.48) GRM5HPGDMAPTTP53POLB
SCHEMBL29564740 0.77 GRM5 (0.48) GRM5HPGDMAPTTP53POLB
SCHEMBL991547 0.75 GRM5 (0.76) GRM5HPGDMAPTNPC1RAB9A
SCHEMBL991523 0.75 GRM5 (0.76) GRM5HPGDMAPTNPC1RAB9A
SCHEMBL13605489 0.75 GRM5 (0.67) GRM5HPGDSMN1; SMN2ALDH1A1
SCHEMBL13605538 0.75 GRM5 (0.67) GRM5HPGDSMN1; SMN2ALDH1A1
SCHEMBL992163 0.74 GRM5 (0.76) GRM5HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115335043-B PGDH inhibitors and methods of making and using the same 迈欧伏特治疗公司 2025-03-28 CN disclosed
CN-117377668-A Inhalant formulations of PGDH inhibitors and methods of use thereof 迈欧伏特治疗公司 2024-01-09 CN disclosed
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
CN-115335043-A PGDH inhibitors and methods of making and using 迈欧伏特治疗公司 2022-11-11 CN disclosed
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed