SCHEMBL24670800

SCHEMBL24670800

COc1cc(NC(=O)c2ccc(C3=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)cc2C)ccc1C1=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.39
QDPR P09417 1/20 0.37
MCHR1 Q99705 1/20 0.37
HTR1D P28221 5/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 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
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC6A4 P31645 3/20 0.34
TMPRSS2 O15393 1/20 0.34
HTR1B P28222 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34

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
SCHEMBL24670804 1.00 NAMPT (0.39) NAMPTQDPRMCHR1HTR1DMEN1
SCHEMBL24670803 0.94 NAMPT (0.38) NAMPTQDPRMCHR1HTR1DMEN1
SCHEMBL29803599 0.93 NAMPT (0.41) NAMPTMAPTKMT2APRMT5WDR77
SCHEMBL24669444 0.93 NAMPT (0.42) NAMPTQDPRMCHR1HTR1DSLC6A4
SCHEMBL24669435 0.93 NAMPT (0.42) NAMPTQDPRMCHR1HTR1DSLC6A4
SCHEMBL24671257 0.92 NAMPT (0.39) NAMPTQDPRABCB1PRMT5WDR77
SCHEMBL24670897 0.92 NAMPT (0.39) NAMPTQDPRABCB1PRMT5WDR77
SCHEMBL24671356 0.91 NAMPT (0.40) NAMPTMAPTKMT2ALMNANPSR1
SCHEMBL24671289 0.91 NAMPT (0.40) NAMPTMAPTKMT2ALMNANPSR1
SCHEMBL29803446 0.91 NAMPT (0.40) NAMPTMAPTKMT2ALMNANPSR1

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