SCHEMBL23675258

SCHEMBL23675258

N=C(NO)c1ccc(Nc2ncc(C(=O)N3CCC(F)(F)CC3)cc2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.41
VNN1 O95497 1/20 0.39
LRRK2 Q5S007 1/20 0.39
HPGD P15428 1/20 0.39
GRM4 Q14833 2/20 0.38
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
DDR1 Q08345 1/20 0.37

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
SCHEMBL29565025 1.00 GRM5 (0.41) GRM5VNN1LRRK2HPGDGRM4
SCHEMBL23675265 0.86 GRM5 (0.48) GRM5VNN1LRRK2HPGDGAA
SCHEMBL29564740 0.86 GRM5 (0.48) GRM5VNN1LRRK2HPGDGAA
SCHEMBL29565245 0.84 FASN (0.43) GRM5LRRK2DDR1
SCHEMBL23675241 0.84 FASN (0.43) GRM5LRRK2DDR1
SCHEMBL23675270 0.79 MAPT (0.42) GRM5LRRK2HPGD
SCHEMBL23680626 0.76 GRM5 (0.46) GRM5VNN1LRRK2HPGDGRM4
SCHEMBL24329653 0.75 GRM5 (0.42) GRM5VNN1LRRK2HPGDGRM4
SCHEMBL24929599 0.74 GRM5 (0.50) GRM5VNN1LRRK2HPGD
SCHEMBL25259875 0.73 FASN (0.46) GRM5ALDH1A1DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed
WO-2021151014-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING MYOFORTE THERAPEUTICS, INC. (US) 2021-07-29 WO disclosed
WO-2021151014-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING MYOFORTE THERAPEUTICS, INC. (US) 2021-07-29 WO disclosed