SCHEMBL24329658

SCHEMBL24329658

O=C(c1cnc2c(ccn2-c2cccc(-c3nn[nH]n3)c2)c1)C1CCCCC(F)(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.40
HPGD P15428 1/20 0.40
DGAT2 Q96PD7 1/20 0.35
GRM5 P41594 3/20 0.35
MLYCD O95822 1/20 0.35
DPP4 P27487 2/20 0.35
GUCY1B2 O75343 1/20 0.34
GUCY1A2 P33402 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
METAP2 P50579 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
MAPT P10636 1/20 0.32
GPR35 Q9HC97 1/20 0.32
KCNH2 Q12809 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL29564808 0.83 HPGD (0.55) PTK2HPGDMLYCDDPP4METAP2
SCHEMBL23675282 0.83 HPGD (0.55) PTK2HPGDMLYCDDPP4METAP2
SCHEMBL23675349 0.80 HPGD (0.51) PTK2HPGDMLYCDDPP4METAP2
SCHEMBL23680881 0.77 HPGD (0.36) HPGDGRM5
SCHEMBL24329024 0.76 HPGD (0.36) HPGDGRM5
SCHEMBL24329028 0.74 HPGD (0.35) HPGD
SCHEMBL24328727 0.74 HPGD (0.34) HPGD
SCHEMBL23675348 0.73 HPGD (0.49) HPGDADH5
SCHEMBL24329042 0.71 HPGD (0.52) PTK2HPGDGRM5
SCHEMBL30201450 0.71 HPGD (0.55) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed