SCHEMBL29564808

SCHEMBL29564808

O=C(c1cnc2c(ccn2-c2cccc(-c3nn[nH]n3)c2)c1)N1CCC(F)(F)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.55
PTK2 Q05397 1/20 0.44
MGLL Q99685 1/20 0.43
MLYCD O95822 1/20 0.40
GPR183 P32249 4/20 0.40
METAP2 P50579 1/20 0.38
DPP4 P27487 1/20 0.38
DDR1 Q08345 2/20 0.38
KCNH2 Q12809 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL23675282 1.00 HPGD (0.55) HPGDPTK2MGLLMLYCDGPR183
SCHEMBL23675349 0.97 HPGD (0.51) HPGDPTK2MGLLMLYCDGPR183
SCHEMBL23675348 0.90 HPGD (0.49) HPGDMGLLGPR183DDR1
SCHEMBL30201450 0.88 HPGD (0.55) HPGDMGLLDDR1USP2CYP1A2
SCHEMBL24942912 0.84 HPGD (0.53) HPGDMGLLDDR1USP2CYP1A2
SCHEMBL30201664 0.84 HPGD (0.53) HPGDMGLLDDR1USP2CYP1A2
SCHEMBL24942845 0.84 HPGD (0.52) HPGDMGLLDDR1USP2CYP1A2
SCHEMBL24329658 0.83 PTK2 (0.40) HPGDPTK2MLYCDMETAP2DPP4
SCHEMBL24942228 0.82 HPGD (0.51) HPGDMGLLDDR1USP2CYP1A2
SCHEMBL24942913 0.82 HPGD (0.61) HPGDMGLLDDR1USP2CYP1A2

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