SCHEMBL24329043

SCHEMBL24329043

Nc1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.54
MGLL Q99685 1/20 0.49
VNN1 O95497 1/20 0.39
DDR1 Q08345 4/20 0.37
LRRK2 Q5S007 1/20 0.37
ADRA1A P35348 2/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL23680713 0.91 HPGD (0.53) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL24463716 0.89 HPGD (0.56) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23680616 0.89 HPGD (0.61) HPGDMGLLVNN1LRRK2ADRA1A
SCHEMBL23675201 0.89 HPGD (0.54) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23675273 0.89 HPGD (0.51) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23680703 0.88 HPGD (0.51) HPGDMGLL
SCHEMBL24329148 0.88 HPGD (0.51) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL24463670 0.88 HPGD (0.52) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL24942618 0.88 HPGD (0.55) HPGDMGLLVNN1DDR1LRRK2
SCHEMBL23680898 0.88 HPGD (0.55) HPGDMGLLVNN1DDR1LRRK2

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