SCHEMBL24329148

SCHEMBL24329148

NC(O)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.51
MGLL Q99685 1/20 0.46
VNN1 O95497 1/20 0.37
DDR1 Q08345 3/20 0.35
LRRK2 Q5S007 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ADRA1A P35348 2/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
USP1 O94782 1/20 0.33

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
SCHEMBL24329043 0.88 HPGD (0.54) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23680713 0.87 HPGD (0.53) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23680616 0.86 HPGD (0.61) HPGDMGLLVNN1LRRK2ADRA1A
SCHEMBL23675201 0.86 HPGD (0.54) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL24463716 0.86 HPGD (0.56) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23680703 0.84 HPGD (0.51) HPGDMGLL
SCHEMBL24463670 0.84 HPGD (0.52) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23680898 0.84 HPGD (0.55) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL24942618 0.84 HPGD (0.55) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23680590 0.83 HPGD (0.52) HPGDMGLLDDR1ACACA

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