SCHEMBL24670179

SCHEMBL24670179

COc1cc(NC(=O)c2ccc(C3=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)c(C)c2)ccc1C1=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.38
MCHR1 Q99705 1/20 0.38
NAMPT P43490 4/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
TMPRSS2 O15393 2/20 0.38
SLC6A4 P31645 1/20 0.38
IMPDH2 P12268 1/20 0.37
MAPT P10636 2/20 0.36
ROCK2 O75116 1/20 0.36
KMT2A Q03164 3/20 0.36
SCN9A Q15858 1/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RAD52 P43351 1/20 0.35
PMP22 Q01453 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
SCHEMBL24670776 1.00 HTR1D (0.38) HTR1DMCHR1NAMPTHTR1BHTR2A
SCHEMBL24670220 0.97 NAMPT (0.38) HTR1DNAMPTHTR1BHTR2ATMPRSS2
SCHEMBL29803531 0.97 NAMPT (0.38) HTR1DNAMPTHTR1BHTR2ATMPRSS2
SCHEMBL29803328 0.94 NAMPT (0.40) HTR1DNAMPTHTR1BHTR2ATMPRSS2
SCHEMBL24669444 0.92 NAMPT (0.42) HTR1DMCHR1NAMPTTMPRSS2SLC6A4
SCHEMBL24669435 0.92 NAMPT (0.42) HTR1DMCHR1NAMPTTMPRSS2SLC6A4
SCHEMBL24670867 0.92 MAPT (0.39) NAMPTTMPRSS2MAPTROCK2KMT2A
SCHEMBL24670860 0.92 MAPT (0.39) NAMPTTMPRSS2MAPTROCK2KMT2A
SCHEMBL24671182 0.92 NAMPT (0.38) NAMPTTMPRSS2MAPTKMT2ASCN9A
SCHEMBL29803596 0.92 NAMPT (0.38) NAMPTTMPRSS2MAPTKMT2ASCN9A

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-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed