SCHEMBL24671259

SCHEMBL24671259

COc1cc(NC(=O)c2ccc(C3=CCN(C=NC(=O)OC(C)(C)C)CC3)cc2F)ccc1C1=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.38
ABCB1 P08183 4/20 0.36
MTTP P55157 3/20 0.33
QDPR P09417 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
NPC1 O15118 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
SCHEMBL24670897 0.94 NAMPT (0.39) NAMPTABCB1MTTPQDPRTRPV1
SCHEMBL24671257 0.94 NAMPT (0.39) NAMPTABCB1MTTPQDPRTRPV1
SCHEMBL24670803 0.93 NAMPT (0.38) NAMPTABCB1QDPR
SCHEMBL24671554 0.92 NAMPT (0.34) NAMPTABCB1TRPV1NPC1
SCHEMBL24670937 0.92 NAMPT (0.34) NAMPTABCB1MTTPTRPV1NPC1
SCHEMBL24671510 0.92 NAMPT (0.41) NAMPTABCB1
SCHEMBL24670242 0.89 NPC1 (0.35) NAMPTABCB1TRPV1NPC1
SCHEMBL24670949 0.87 NAMPT (0.41) NAMPTNPC1
SCHEMBL24670952 0.87 NAMPT (0.41) NAMPTNPC1
SCHEMBL24670800 0.86 NAMPT (0.39) NAMPTABCB1QDPR

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